4-(phenylmethyl)-1-(phenylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(phenylmethyl)-1-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-benzyl-piperidine-4-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-benzylpiperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-besyl-isonipecotic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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