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

Systemtic Name: 4-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-(4-fluorophenyl)sulfonylnipecotoyl]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)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O5S/c1-13-11-14(20(25)26)4-9-18(13)22-19(24)15-3-2-10-23(12-15)29(27,28)17-7-5-16(21)6-8-17/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,24)(H,25,26)