[1-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]-1,2,3-triazol-4-yl]methyl 4-sulfamoylbenzoate

Systemtic Name: [1-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]-1,2,3-triazol-4-yl]methyl 4-sulfamoylbenzoate Openeye Name: [1-[(2R,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]triazol-4-yl]methyl 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [1-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]-4-triazolyl]methyl ester IUPAC Name: [1-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]triazol-4-yl]methyl 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [1-[(2R,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]triazol-4-yl]methyl ester Formula: C36H44N4O21S MolecularWeight: 900.81376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N2C=C(N=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N)OC(=O)C)OC(=O)C)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=C(N=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N)OC(=O)C)OC(=O)C)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C36H44N4O21S/c1-16(41)51-14-26-29(61-36-33(58-22(7)47)31(56-20(5)45)28(54-18(3)43)27(60-36)15-52-17(2)42)30(55-19(4)44)32(57-21(6)46)34(59-26)40-12-24(38-39-40)13-53-35(48)23-8-10-25(11-9-23)62(37,49)50/h8-12,26-34,36H,13-15H2,1-7H3,(H2,37,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,36-/m1/s1