1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-phenyl-isonipecotic acid Formula: C18H17ClFNO4S MolecularWeight: 397.848283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H17ClFNO4S/c19-15-12-14(6-7-16(15)20)26(24,25)21-10-8-18(9-11-21,17(22)23)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,22,23)