[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-fluorobenzoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-fluoro-benzoic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)F

InChI

InChI=1S/C19H21FN2O5S/c1-12-6-5-7-14(10-12)21-18(23)13(2)27-19(24)16-11-15(8-9-17(16)20)28(25,26)22(3)4/h5-11,13H,1-4H3,(H,21,23)/t13-/m0/s1