N-[4-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide CAS Name: N-[4-[oxo-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]methyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C22H25N5O5S/c1-3-4-7-14-27-22(30)18-9-6-5-8-17(18)19(25-27)21(29)24-23-20(28)15-10-12-16(13-11-15)26-33(2,31)32/h5-6,8-13,26H,3-4,7,14H2,1-2H3,(H,23,28)(H,24,29)