N-[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[(4-nitrophenyl)methyl-phenyl-amino]ethanamide

Systemtic Name: N-[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[(4-nitrophenyl)methyl-phenyl-amino]ethanamide Openeye Name: N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-2-[N-[(4-nitrophenyl)methyl]anilino]acetamide CAS Name: N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-2-[N-[(4-nitrophenyl)methyl]anilino]acetamide IUPAC Name: N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-2-[N-[(4-nitrophenyl)methyl]anilino]acetamide Traditional Name: N-[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]-2-(N-(4-nitrobenzyl)anilino)acetamide Formula: C32H42N4O6S MolecularWeight: 610.76408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CO

InChI

InChI=1S/C32H42N4O6S/c1-25(2)21-35(43(41,42)31-18-12-26(3)13-19-31)30(24-37)11-7-8-20-33-32(38)23-34(28-9-5-4-6-10-28)22-27-14-16-29(17-15-27)36(39)40/h4-6,9-10,12-19,25,30,37H,7-8,11,20-24H2,1-3H3,(H,33,38)/t30-/m0/s1