N,4-dimethyl-3-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N,4-dimethyl-3-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N,4-dimethyl-3-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: N,4-dimethyl-3-[oxo-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N,4-dimethyl-3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: 3-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]-N,4-dimethyl-benzenesulfonamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)C

InChI

InChI=1S/C21H23N5O5S/c1-4-11-26-21(29)16-8-6-5-7-15(16)18(25-26)20(28)24-23-19(27)17-12-14(10-9-13(17)2)32(30,31)22-3/h5-10,12,22H,4,11H2,1-3H3,(H,23,27)(H,24,28)