methyl 3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(3,4-dimethoxyphenyl)sulfonylisonipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3)OC

InChI

InChI=1S/C24H30N2O7S/c1-31-21-10-9-19(15-22(21)32-2)34(29,30)26-13-11-18(12-14-26)24(28)25-20(16-23(27)33-3)17-7-5-4-6-8-17/h4-10,15,18,20H,11-14,16H2,1-3H3,(H,25,28)