methyl 3-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H25N3O5S/c1-31-22(27)15-20(17-7-3-2-4-8-17)25-23(28)18-11-13-26(14-12-18)32(29,30)21-10-6-5-9-19(21)16-24/h2-10,18,20H,11-15H2,1H3,(H,25,28)