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

Systemtic Name: 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[3-[(4-chloro-2-fluoro-phenyl)carbamoyl]-4-fluoro-phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[3-[(4-chloro-2-fluoroanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[3-[(4-chloro-2-fluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[3-[(4-chloro-2-fluoro-phenyl)carbamoyl]-4-fluoro-phenyl]sulfonylnipecotic acid Formula: C19H17ClF2N2O5S MolecularWeight: 458.863486

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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=C(C=C(C=C3)Cl)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)Cl)F)C(=O)O

InChI

InChI=1S/C19H17ClF2N2O5S/c20-12-3-6-17(16(22)8-12)23-18(25)14-9-13(4-5-15(14)21)30(28,29)24-7-1-2-11(10-24)19(26)27/h3-6,8-9,11H,1-2,7,10H2,(H,23,25)(H,26,27)