methyl 1-[4-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]benzoyl]isonipecotic acid methyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O7S/c1-24(33(28,29)19-9-10-20(30-2)21(15-19)31-3)18-7-5-16(6-8-18)22(26)25-13-11-17(12-14-25)23(27)32-4/h5-10,15,17H,11-14H2,1-4H3