3-[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H20N4O6S/c1-12-8-9-13(10-16(12)31(29,30)23(2)3)21-17(25)11-24-19(26)15-7-5-4-6-14(15)18(22-24)20(27)28/h4-10H,11H2,1-3H3,(H,21,25)(H,27,28)