N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[phenyl-(phenylmethyl)amino]ethanamide

Systemtic Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[phenyl-(phenylmethyl)amino]ethanamide Openeye Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-(N-benzylanilino)acetamide CAS Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-2-(N-(phenylmethyl)anilino)acetamide IUPAC Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-2-(N-benzylanilino)acetamide Traditional Name: 2-(N-benzylanilino)-N-[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]acetamide Formula: C31H42N4O4S MolecularWeight: 566.75458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)CN(CC1=CC=CC=C1)C2=CC=CC=C2)CO)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C31H42N4O4S/c1-25(2)21-35(40(38,39)30-18-16-27(32)17-19-30)29(24-36)15-9-10-20-33-31(37)23-34(28-13-7-4-8-14-28)22-26-11-5-3-6-12-26/h3-8,11-14,16-19,25,29,36H,9-10,15,20-24,32H2,1-2H3,(H,33,37)/t29-/m0/s1