[(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate Openeye Name: [(1S)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(allylsulfamoyl)benzoate CAS Name: 3-(prop-2-enylsulfamoyl)benzoic acid [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate Traditional Name: 3-(allylsulfamoyl)benzoic acid [(1S)-2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-5-11-22-29(26,27)18-8-6-7-17(13-18)21(25)28-16(4)20(24)23-19-10-9-14(2)12-15(19)3/h5-10,12-13,16,22H,1,11H2,2-4H3,(H,23,24)/t16-/m0/s1