4-[(4-methoxyphenyl)sulfonyl-(3-morpholin-4-yl-3-oxidanylidene-propyl)amino]-1-methyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-(3-morpholin-4-yl-3-oxidanylidene-propyl)amino]-1-methyl-piperidine-4-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)sulfonyl-(3-morpholino-3-oxo-propyl)amino]-1-methyl-piperidine-4-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonyl-[3-(4-morpholinyl)-3-oxopropyl]amino]-1-methyl-4-piperidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-methylpiperidine-4-carboxylic acid Traditional Name: 4-[(3-keto-3-morpholino-propyl)-(4-methoxyphenyl)sulfonyl-amino]-1-methyl-isonipecotic acid Formula: C21H31N3O7S MolecularWeight: 469.55174

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C(=O)O)N(CCC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1CCC(CC1)(C(=O)O)N(CCC(=O)N2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H31N3O7S/c1-22-11-8-21(9-12-22,20(26)27)24(10-7-19(25)23-13-15-31-16-14-23)32(28,29)18-5-3-17(30-2)4-6-18/h3-6H,7-16H2,1-2H3,(H,26,27)