N-ethyl-4-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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