4-[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[(2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(2S)-1-(2-fluorophenyl)sulfonylprolyl]amino]-3-methyl-benzoic acid Formula: C19H19FN2O5S MolecularWeight: 406.427963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H19FN2O5S/c1-12-11-13(19(24)25)8-9-15(12)21-18(23)16-6-4-10-22(16)28(26,27)17-7-3-2-5-14(17)20/h2-3,5,7-9,11,16H,4,6,10H2,1H3,(H,21,23)(H,24,25)/t16-/m0/s1