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

Systemtic Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[(4-methoxyphenyl)methyl-phenyl-amino]ethanamide Openeye Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]acetamide CAS Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]acetamide IUPAC Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]acetamide Traditional Name: N-[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]-2-(N-p-anisylanilino)acetamide Formula: C32H44N4O5S MolecularWeight: 596.78056

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H44N4O5S/c1-25(2)21-36(42(39,40)31-18-14-27(33)15-19-31)29(24-37)11-7-8-20-34-32(38)23-35(28-9-5-4-6-10-28)22-26-12-16-30(41-3)17-13-26/h4-6,9-10,12-19,25,29,37H,7-8,11,20-24,33H2,1-3H3,(H,34,38)/t29-/m0/s1