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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-1-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-besyl-4-(4-chlorobenzyl)isonipecotic acid Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=C(C=C2)Cl)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1(CC2=CC=C(C=C2)Cl)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20ClNO4S/c20-16-8-6-15(7-9-16)14-19(18(22)23)10-12-21(13-11-19)26(24,25)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,23)