1-[5-[(2-chlorophenyl)carbamoyl]-2-fluoranyl-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[5-[(2-chlorophenyl)carbamoyl]-2-fluoranyl-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[5-[(2-chlorophenyl)carbamoyl]-2-fluoro-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[5-[(2-chloroanilino)-oxomethyl]-2-fluorophenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[5-[(2-chlorophenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[5-[(2-chlorophenyl)carbamoyl]-2-fluoro-phenyl]sulfonylisonipecotic acid Formula: C19H18ClFN2O5S MolecularWeight: 440.873023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3Cl)F

InChI

InChI=1S/C19H18ClFN2O5S/c20-14-3-1-2-4-16(14)22-18(24)13-5-6-15(21)17(11-13)29(27,28)23-9-7-12(8-10-23)19(25)26/h1-6,11-12H,7-10H2,(H,22,24)(H,25,26)