1-(phenylmethyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(phenylmethyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-benzylsulfonylpiperidine-4-carboxylic acid CAS Name: 1-(phenylmethyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-benzylsulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzylsulfonylisonipecotic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c15-13(16)12-6-8-14(9-7-12)19(17,18)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)