1-[2-fluoranyl-5-[(3-fluoranyl-4-methyl-phenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-fluoranyl-5-[(3-fluoranyl-4-methyl-phenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-fluoro-5-[(3-fluoro-4-methyl-phenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[2-fluoro-5-[(3-fluoro-4-methylanilino)-oxomethyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-fluoro-5-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[2-fluoro-5-[(3-fluoro-4-methyl-phenyl)carbamoyl]phenyl]sulfonylisonipecotic acid Formula: C20H20F2N2O5S MolecularWeight: 438.445006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCC(CC3)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C20H20F2N2O5S/c1-12-2-4-15(11-17(12)22)23-19(25)14-3-5-16(21)18(10-14)30(28,29)24-8-6-13(7-9-24)20(26)27/h2-5,10-11,13H,6-9H2,1H3,(H,23,25)(H,26,27)