N-[2-[[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]thiophene-2-sulfonamide

Systemtic Name: N-[2-[[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Openeye Name: N-[2-[[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide CAS Name: N-[2-[[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[2-[[(3-methyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide Traditional Name: N-[2-[[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide Formula: C21H17N5O5S2 MolecularWeight: 483.52018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N5O5S2/c1-26-21(29)14-8-3-2-7-13(14)18(24-26)20(28)23-22-19(27)15-9-4-5-10-16(15)25-33(30,31)17-11-6-12-32-17/h2-12,25H,1H3,(H,22,27)(H,23,28)