4-[(4-chlorophenyl)methoxy]-1-methyl-2-(phenylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-chlorophenyl)methoxy]-1-methyl-2-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(4-chlorophenyl)methoxy]-1-methyl-piperidine-4-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(4-chlorophenyl)methoxy]-1-methyl-4-piperidinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(4-chlorophenyl)methoxy]-1-methylpiperidine-4-carboxylic acid Traditional Name: 2-besyl-4-(4-chlorobenzyl)oxy-1-methyl-isonipecotic acid Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1S(=O)(=O)C2=CC=CC=C2)(C(=O)O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCC(CC1S(=O)(=O)C2=CC=CC=C2)(C(=O)O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNO5S/c1-22-12-11-20(19(23)24,27-14-15-7-9-16(21)10-8-15)13-18(22)28(25,26)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3,(H,23,24)