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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)O)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)O)F

InChI

InChI=1S/C20H21FN2O6S/c1-29-15-6-4-14(5-7-15)22-19(24)17-11-16(8-9-18(17)21)30(27,28)23-10-2-3-13(12-23)20(25)26/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,24)(H,25,26)