N-[2-methyl-5-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]methanesulfonamide

Systemtic Name: N-[2-methyl-5-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]methanesulfonamide Openeye Name: N-[2-methyl-5-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide CAS Name: N-[2-methyl-5-[oxo-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]methyl]phenyl]methanesulfonamide IUPAC Name: N-[2-methyl-5-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide Traditional Name: N-[5-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-2-methyl-phenyl]methanesulfonamide Formula: C23H27N5O5S MolecularWeight: 485.55598

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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)C)NS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O5S/c1-4-5-8-13-28-23(31)18-10-7-6-9-17(18)20(26-28)22(30)25-24-21(29)16-12-11-15(2)19(14-16)27-34(3,32)33/h6-7,9-12,14,27H,4-5,8,13H2,1-3H3,(H,24,29)(H,25,30)