1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-chlorophenyl)sulfonylethyl]isonipecotic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClNO4S/c15-12-1-3-13(4-2-12)21(19,20)10-9-16-7-5-11(6-8-16)14(17)18/h1-4,11H,5-10H2,(H,17,18)