4-azanyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide; (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-1-oxacyclotetradecan-2-one

Systemtic Name: 4-azanyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide; (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-1-oxacyclotetradecan-2-one Openeye Name: 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide; (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one CAS Name: 4-amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide; (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide; (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one Traditional Name: 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide; (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-10-(2-methoxyethoxymethyloximino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one Formula: C51H87N5O18S MolecularWeight: 1090.32418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O.CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O.CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C41H76N2O15.C10H11N3O3S/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30;1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3;2-6H,11H2,1H3,(H,12,13)/b42-31+;/t22-,23?,24+,25+,26-,27?,28?,29-,30?,32?,33+,34-,35?,36-,38?,39-,40?,41-;/m1./s1