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

Systemtic Name: 4-bromanyl-N-methyl-3-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: 4-bromo-N-methyl-3-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: 4-bromo-N-methyl-3-[oxo-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-methyl-3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: 4-bromo-3-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]-N-methyl-benzenesulfonamide Formula: C20H20BrN5O5S MolecularWeight: 522.3723

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)Br

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)Br

InChI

InChI=1S/C20H20BrN5O5S/c1-3-10-26-20(29)14-7-5-4-6-13(14)17(25-26)19(28)24-23-18(27)15-11-12(8-9-16(15)21)32(30,31)22-2/h4-9,11,22H,3,10H2,1-2H3,(H,23,27)(H,24,28)