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

Systemtic Name: 1-[[4-(phenylsulfonyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-(4-besylbenzyl)isonipecotic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO4S/c21-19(22)16-10-12-20(13-11-16)14-15-6-8-18(9-7-15)25(23,24)17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,21,22)