4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]-3-methyl-benzoic acid Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O5S/c1-13-12-15(20(25)26)2-7-18(13)22-19(24)14-8-10-23(11-9-14)29(27,28)17-5-3-16(21)4-6-17/h2-7,12,14H,8-11H2,1H3,(H,22,24)(H,25,26)