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

Systemtic Name: 4-[(4-chlorophenyl)methoxy]-1-ethyl-2-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(4-chlorophenyl)methoxy]-1-ethyl-piperidine-4-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(4-chlorophenyl)methoxy]-1-ethyl-4-piperidinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(4-chlorophenyl)methoxy]-1-ethylpiperidine-4-carboxylic acid Traditional Name: 2-besyl-4-(4-chlorobenzyl)oxy-1-ethyl-isonipecotic acid Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1S(=O)(=O)C2=CC=CC=C2)(C(=O)O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1CCC(CC1S(=O)(=O)C2=CC=CC=C2)(C(=O)O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO5S/c1-2-23-13-12-21(20(24)25,28-15-16-8-10-17(22)11-9-16)14-19(23)29(26,27)18-6-4-3-5-7-18/h3-11,19H,2,12-15H2,1H3,(H,24,25)