1-(5-chloranyl-2-cyano-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(5-chloranyl-2-cyano-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(5-chloro-2-cyano-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(5-chloro-2-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(5-chloro-2-cyanophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(5-chloro-2-cyano-phenyl)sulfonylisonipecotic acid Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C13H13ClN2O4S/c14-11-2-1-10(8-15)12(7-11)21(19,20)16-5-3-9(4-6-16)13(17)18/h1-2,7,9H,3-6H2,(H,17,18)