3-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(3-methylsulfonylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(3-methylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-(3-mesylanilino)ethyl]phthalazine-1-carboxamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O5S/c1-28(26,27)12-6-4-5-11(9-12)20-15(23)10-22-18(25)14-8-3-2-7-13(14)16(21-22)17(19)24/h2-9H,10H2,1H3,(H2,19,24)(H,20,23)