[1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[3-(dimethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[3-(dimethylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H20N4O6S MolecularWeight: 444.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)OC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)OC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H20N4O6S/c1-12(18(25)21-13-7-6-8-14(11-13)31(28,29)24(2)3)30-20(27)17-15-9-4-5-10-16(15)19(26)23-22-17/h4-12H,1-3H3,(H,21,25)(H,23,26)