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

Systemtic Name: 3-[2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-methyl-3-sulfamoyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(4-methyl-3-sulfamoyl-anilino)ethyl]phthalazine-1-carboxylic acid Formula: C18H16N4O6S MolecularWeight: 416.40784

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O6S/c1-10-6-7-11(8-14(10)29(19,27)28)20-15(23)9-22-17(24)13-5-3-2-4-12(13)16(21-22)18(25)26/h2-8H,9H2,1H3,(H,20,23)(H,25,26)(H2,19,27,28)