4-[[(2R,5S,8R,11S,14R,17S,20R,23S)-14-[[4-(diethylsulfamoyl)phenyl]methyl]-4,8,10,16,20,22-hexamethyl-5,11,17,23-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24-octakis(oxidanylidene)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracos-2-yl]methyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[(2R,5S,8R,11S,14R,17S,20R,23S)-14-[[4-(diethylsulfamoyl)phenyl]methyl]-4,8,10,16,20,22-hexamethyl-5,11,17,23-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24-octakis(oxidanylidene)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracos-2-yl]methyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[(2R,5S,8R,11S,14R,17S,20R,23S)-14-[[4-(diethylsulfamoyl)phenyl]methyl]-5,11,17,23-tetraisobutyl-4,8,10,16,20,22-hexamethyl-3,6,9,12,15,18,21,24-octaoxo-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracos-2-yl]methyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[(2R,5S,8R,11S,14R,17S,20R,23S)-14-[[4-(diethylsulfamoyl)phenyl]methyl]-4,8,10,16,20,22-hexamethyl-5,11,17,23-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracos-2-yl]methyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[(2R,5S,8R,11S,14R,17S,20R,23S)-14-[[4-(diethylsulfamoyl)phenyl]methyl]-4,8,10,16,20,22-hexamethyl-5,11,17,23-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracos-2-yl]methyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[(2R,5S,8R,11S,14R,17S,20R,23S)-14-[4-(diethylsulfamoyl)benzyl]-5,11,17,23-tetraisobutyl-3,6,9,12,15,18,21,24-octaketo-4,8,10,16,20,22-hexamethyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracos-2-yl]methyl]-N,N-diethyl-benzenesulfonamide Formula: C60H94N6O16S2 MolecularWeight: 1219.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CC2C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O2)CC(C)C)C)C)CC(C)C)C)CC3=CC=C(C=C3)S(=O)(=O)N(CC)CC)CC(C)C)C)C)CC(C)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C[C@@H]2C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O2)CC(C)C)C)C)CC(C)C)C)CC3=CC=C(C=C3)S(=O)(=O)N(CC)CC)CC(C)C)C)C)CC(C)C)C

InChI

InChI=1S/C60H94N6O16S2/c1-19-65(20-2)83(75,76)45-27-23-43(24-28-45)35-51-55(69)63(17)47(31-37(5)6)57(71)79-42(14)54(68)62(16)50(34-40(11)12)60(74)82-52(36-44-25-29-46(30-26-44)84(77,78)66(21-3)22-4)56(70)64(18)48(32-38(7)8)58(72)80-41(13)53(67)61(15)49(33-39(9)10)59(73)81-51/h23-30,37-42,47-52H,19-22,31-36H2,1-18H3/t41-,42-,47+,48+,49+,50+,51-,52-/m1/s1