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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)O)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)O)F)F

InChI

InChI=1S/C20H20F2N2O5S/c1-12-4-5-14(9-18(12)22)23-19(25)16-10-15(6-7-17(16)21)30(28,29)24-8-2-3-13(11-24)20(26)27/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,23,25)(H,26,27)