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

Systemtic Name: 1-[4-fluoranyl-3-[(2-methoxyphenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-fluoro-3-[(2-methoxyphenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-fluoro-3-[(2-methoxyanilino)-oxomethyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-fluoro-3-[(2-methoxyphenyl)carbamoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-fluoro-3-[(2-methoxyphenyl)carbamoyl]phenyl]sulfonylisonipecotic acid Formula: C20H21FN2O6S MolecularWeight: 436.453943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)F

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C20H21FN2O6S/c1-29-18-5-3-2-4-17(18)22-19(24)15-12-14(6-7-16(15)21)30(27,28)23-10-8-13(9-11-23)20(25)26/h2-7,12-13H,8-11H2,1H3,(H,22,24)(H,25,26)