1-cyclopropyl-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid hydrochloride

Systemtic Name: 1-cyclopropyl-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid hydrochloride Openeye Name: 1-cyclopropyl-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid hydrochloride CAS Name: 1-cyclopropyl-4-(4-phenoxyphenyl)sulfonyl-4-piperidinecarboxylic acid hydrochloride IUPAC Name: 1-cyclopropyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylic acid hydrochloride Traditional Name: 1-cyclopropyl-4-(4-phenoxyphenyl)sulfonyl-isonipecotic acid hydrochloride Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4.Cl

Isomeric SMILES

C1CC1N2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4.Cl

InChI

InChI=1S/C21H23NO5S.ClH/c23-20(24)21(12-14-22(15-13-21)16-6-7-16)28(25,26)19-10-8-18(9-11-19)27-17-4-2-1-3-5-17;/h1-5,8-11,16H,6-7,12-15H2,(H,23,24);1H