1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-methoxy-3-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-methoxy-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-methoxy-3-(4-methylpiperidino)sulfonyl-benzoyl]isonipecotic acid Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C20H28N2O6S/c1-14-5-11-22(12-6-14)29(26,27)18-13-16(3-4-17(18)28-2)19(23)21-9-7-15(8-10-21)20(24)25/h3-4,13-15H,5-12H2,1-2H3,(H,24,25)