5-[[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[(2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(2S)-1-(2-fluorophenyl)sulfonylprolyl]amino]methyl]-2-methoxy-benzoic acid Formula: C20H21FN2O6S MolecularWeight: 436.453943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC=C3F)C(=O)O

InChI

InChI=1S/C20H21FN2O6S/c1-29-17-9-8-13(11-14(17)20(25)26)12-22-19(24)16-6-4-10-23(16)30(27,28)18-7-3-2-5-15(18)21/h2-3,5,7-9,11,16H,4,6,10,12H2,1H3,(H,22,24)(H,25,26)/t16-/m0/s1