2-(2-ethanimidoylphenyl)-N-[4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-(2-ethanimidoylphenyl)-N-[4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[isobutyl(p-tolylsulfonyl)amino]propyl]-2-(2-ethanimidoylphenyl)acetamide CAS Name: N-[3-hydroxy-4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[2-(1-iminoethyl)phenyl]acetamide IUPAC Name: 2-(2-ethanimidoylphenyl)-N-[3-hydroxy-4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]acetamide Traditional Name: 2-(2-acetimidoylphenyl)-N-[1-benzyl-2-hydroxy-3-[isobutyl(tosyl)amino]propyl]acetamide Formula: C31H39N3O4S MolecularWeight: 549.72406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(C(CC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3C(=N)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(C(CC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3C(=N)C)O

InChI

InChI=1S/C31H39N3O4S/c1-22(2)20-34(39(37,38)27-16-14-23(3)15-17-27)21-30(35)29(18-25-10-6-5-7-11-25)33-31(36)19-26-12-8-9-13-28(26)24(4)32/h5-17,22,29-30,32,35H,18-21H2,1-4H3,(H,33,36)