2-chloranyl-N,N-diethyl-5-[[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: 2-chloranyl-N,N-diethyl-5-[[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: 2-chloro-N,N-diethyl-5-[[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: 2-chloro-N,N-diethyl-5-[[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: 2-chloro-N,N-diethyl-5-[[(3-methyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: 2-chloro-N,N-diethyl-5-[[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide Formula: C21H22ClN5O5S MolecularWeight: 491.94788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O5S/c1-4-27(5-2)33(31,32)17-12-13(10-11-16(17)22)19(28)23-24-20(29)18-14-8-6-7-9-15(14)21(30)26(3)25-18/h6-12H,4-5H2,1-3H3,(H,23,28)(H,24,29)