propan-2-yl 3-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-(4-methylphenyl)propanoate Openeye Name: isopropyl 3-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-[[2-[(4-cyanophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3-(4-methylphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]-3-(4-methylphenyl)propanoate Traditional Name: 3-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-(p-tolyl)propionic acid isopropyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H27N3O5S/c1-16(2)31-23(28)13-21(19-9-5-17(3)6-10-19)25-22(27)15-26(4)32(29,30)20-11-7-18(14-24)8-12-20/h5-12,16,21H,13,15H2,1-4H3,(H,25,27)