1-[[4-(phenylsulfonyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[4-(phenylsulfonyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-besylbenzyl)nipecotic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

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