propan-2-yl 3-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: propan-2-yl 3-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(4-methylphenyl)propanoate Openeye Name: isopropyl 3-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-methylphenyl)propanoate Traditional Name: 3-[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]-3-(p-tolyl)propionic acid isopropyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C26H31N3O5S/c1-18(2)34-25(30)16-23(20-10-8-19(3)9-11-20)28-26(31)21-12-14-29(15-13-21)35(32,33)24-7-5-4-6-22(24)17-27/h4-11,18,21,23H,12-16H2,1-3H3,(H,28,31)