1-(5-chloranyl-2-cyano-phenyl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(5-chloranyl-2-cyano-phenyl)sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-(5-chloro-2-cyano-phenyl)sulfonylpiperidine-3-carboxylic acid CAS Name: 1-(5-chloro-2-cyanophenyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-(5-chloro-2-cyanophenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-(5-chloro-2-cyano-phenyl)sulfonylnipecotic acid Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N)C(=O)O

InChI

InChI=1S/C13H13ClN2O4S/c14-11-4-3-9(7-15)12(6-11)21(19,20)16-5-1-2-10(8-16)13(17)18/h3-4,6,10H,1-2,5,8H2,(H,17,18)