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

Systemtic Name: N-[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[phenethyl(phenyl)amino]ethanamide Openeye Name: N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-2-(N-phenethylanilino)acetamide CAS Name: N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-2-(N-phenethylanilino)acetamide IUPAC Name: N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-2-(N-phenethylanilino)acetamide Traditional Name: N-[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]-2-(N-phenethylanilino)acetamide Formula: C33H45N3O4S MolecularWeight: 579.7931

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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(CCC2=CC=CC=C2)C3=CC=CC=C3)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CN(CCC2=CC=CC=C2)C3=CC=CC=C3)CO

InChI

InChI=1S/C33H45N3O4S/c1-27(2)24-36(41(39,40)32-19-17-28(3)18-20-32)31(26-37)16-10-11-22-34-33(38)25-35(30-14-8-5-9-15-30)23-21-29-12-6-4-7-13-29/h4-9,12-15,17-20,27,31,37H,10-11,16,21-26H2,1-3H3,(H,34,38)/t31-/m0/s1