methyl 4-[[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN2O5S/c1-27-19(24)13-4-8-15(9-5-13)21-18(23)17-3-2-12-22(17)28(25,26)16-10-6-14(20)7-11-16/h4-11,17H,2-3,12H2,1H3,(H,21,23)/t17-/m0/s1