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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5S/c1-3-12-22-32(30,31)15-9-7-8-14(13-15)19(27)23-24-20(28)18-16-10-5-6-11-17(16)21(29)26(4-2)25-18/h5-11,13,22H,3-4,12H2,1-2H3,(H,23,27)(H,24,28)