N-butan-2-yl-4-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-butan-2-yl-4-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: 4-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]-N-sec-butyl-benzenesulfonamide CAS Name: N-butan-2-yl-4-[[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-butan-2-yl-4-[[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: 4-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-N-sec-butyl-benzenesulfonamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5S/c1-4-14(3)26-33(31,32)16-12-10-15(11-13-16)20(28)23-24-21(29)19-17-8-6-7-9-18(17)22(30)27(5-2)25-19/h6-14,26H,4-5H2,1-3H3,(H,23,28)(H,24,29)