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

Systemtic Name: methyl 4-[[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[(2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[(2S)-1-(2-fluorophenyl)sulfonylprolyl]amino]methyl]benzoic acid methyl ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O5S/c1-28-20(25)15-10-8-14(9-11-15)13-22-19(24)17-6-4-12-23(17)29(26,27)18-7-3-2-5-16(18)21/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,22,24)/t17-/m0/s1