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

Systemtic Name: 1-[4-fluoranyl-3-[(3-fluorophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-fluoro-3-[(3-fluorophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-fluoro-3-[(3-fluoroanilino)-oxomethyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-fluoro-3-[(3-fluorophenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-fluoro-3-[(3-fluorophenyl)carbamoyl]phenyl]sulfonylisonipecotic acid Formula: C19H18F2N2O5S MolecularWeight: 424.418426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C19H18F2N2O5S/c20-13-2-1-3-14(10-13)22-18(24)16-11-15(4-5-17(16)21)29(27,28)23-8-6-12(7-9-23)19(25)26/h1-5,10-12H,6-9H2,(H,22,24)(H,25,26)