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

Systemtic Name: propan-2-yl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C26H34N2O5S/c1-18(2)33-25(29)17-24(21-8-6-5-7-9-21)27-26(30)22-12-14-28(15-13-22)34(31,32)23-11-10-19(3)20(4)16-23/h5-11,16,18,22,24H,12-15,17H2,1-4H3,(H,27,30)