4-[(2,4-dimethyl-3-oxidanylidene-7-pyridin-3-ylcarbonyl-2,4,6,7-tetrazabicyclo[3.2.1]octa-1(8),5-dien-8-yl)diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[(2,4-dimethyl-3-oxidanylidene-7-pyridin-3-ylcarbonyl-2,4,6,7-tetrazabicyclo[3.2.1]octa-1(8),5-dien-8-yl)diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[[2,4-dimethyl-3-oxo-7-(pyridine-3-carbonyl)-2,4,6,7-tetrazabicyclo[3.2.1]octa-1(8),5-dien-8-yl]azo]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[2,4-dimethyl-3-oxo-7-[oxo(3-pyridinyl)methyl]-2,4,6,7-tetrazabicyclo[3.2.1]octa-1(8),5-dien-8-yl]azo]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[[2,4-dimethyl-3-oxo-7-(pyridine-3-carbonyl)-2,4,6,7-tetrazabicyclo[3.2.1]octa-1(8),5-dien-8-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[(3-keto-2,4-dimethyl-7-nicotinoyl-2,4,6,7-tetrazabicyclo[3.2.1]octa-1(8),5-dien-8-yl)azo]-N-(2-pyrimidyl)benzenesulfonamide Formula: C22H18N10O4S MolecularWeight: 518.50792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NN2C(=O)C3=CN=CC=C3)N(C1=O)C)N=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

CN1C2=C(C(=NN2C(=O)C3=CN=CC=C3)N(C1=O)C)N=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C22H18N10O4S/c1-30-18-17(19(31(2)22(30)34)32(28-18)20(33)14-5-3-10-23-13-14)27-26-15-6-8-16(9-7-15)37(35,36)29-21-24-11-4-12-25-21/h3-13H,1-2H3,(H,24,25,29)