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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5S/c1-4-26(5-2)32(30,31)15-10-8-9-14(13-15)19(27)22-23-20(28)18-16-11-6-7-12-17(16)21(29)25(3)24-18/h6-13H,4-5H2,1-3H3,(H,22,27)(H,23,28)