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

Systemtic Name: 3-[[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]carbamoyl]-N-propyl-benzenesulfonamide Openeye Name: 3-[[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]-N-propyl-benzenesulfonamide CAS Name: 3-[oxo-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]hydrazo]methyl]-N-propylbenzenesulfonamide IUPAC Name: 3-[[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]carbamoyl]-N-propylbenzenesulfonamide Traditional Name: 3-[[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-N-propyl-benzenesulfonamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5S/c1-4-12-23-33(31,32)16-9-7-8-15(13-16)20(28)24-25-21(29)19-17-10-5-6-11-18(17)22(30)27(26-19)14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,24,28)(H,25,29)