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

Systemtic Name: 3-[2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O6S/c1-4-25(5-2)33(31,32)18-12-15(11-10-14(18)3)23-19(27)13-26-21(28)17-9-7-6-8-16(17)20(24-26)22(29)30/h6-12H,4-5,13H2,1-3H3,(H,23,27)(H,29,30)