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

Systemtic Name: propan-2-yl 3-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 3-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S/c1-18(2)33-24(29)16-22(19-8-4-3-5-9-19)27-25(30)20-12-14-28(15-13-20)34(31,32)23-11-7-6-10-21(23)17-26/h3-11,18,20,22H,12-16H2,1-2H3,(H,27,30)