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

Systemtic Name: 1-[[4-(phenylsulfonyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[4-(benzenesulfonyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-(4-besylbenzyl)pipecolinic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)CC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)CC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

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