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

Systemtic Name: 3-[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[4-[mesyl(methyl)amino]phenyl]ethyl]phthalazine-1-carboxylic acid Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O6S/c1-21(29(2,27)28)13-9-7-12(8-10-13)16(23)11-22-18(24)15-6-4-3-5-14(15)17(20-22)19(25)26/h3-10H,11H2,1-2H3,(H,25,26)