[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-6-10-23-30(27,28)19-9-7-8-18(13-19)22(26)29-17(5)21(25)24-20-15(3)11-14(2)12-16(20)4/h1,7-9,11-13,17,23H,10H2,2-5H3,(H,24,25)