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

Systemtic Name: N,N-diethyl-3-[[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[oxo-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[[(4-keto-3H-phthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide Formula: C20H21N5O5S MolecularWeight: 443.47624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H21N5O5S/c1-3-25(4-2)31(29,30)14-9-7-8-13(12-14)18(26)22-24-20(28)17-15-10-5-6-11-16(15)19(27)23-21-17/h5-12H,3-4H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)