1-[3-[(2-chlorophenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[3-[(2-chlorophenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[3-[(2-chlorophenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[3-[(2-chloroanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[3-[(2-chlorophenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[3-[(2-chlorophenyl)carbamoyl]-4-fluoro-phenyl]sulfonylnipecotic acid Formula: C19H18ClFN2O5S MolecularWeight: 440.873023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC=C3Cl)C(=O)O

InChI

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