4-[[5-methyl-3-phenylazanyl-1-[4-(pyrimidin-4-ylsulfamoyl)phenyl]pyrazol-4-yl]diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[[5-methyl-3-phenylazanyl-1-[4-(pyrimidin-4-ylsulfamoyl)phenyl]pyrazol-4-yl]diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[3-anilino-5-methyl-1-[4-(pyrimidin-4-ylsulfamoyl)phenyl]pyrazol-4-yl]azo-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[3-anilino-5-methyl-1-[4-(4-pyrimidinylsulfamoyl)phenyl]-4-pyrazolyl]azo]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[[3-anilino-5-methyl-1-[4-(pyrimidin-4-ylsulfamoyl)phenyl]pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[3-anilino-5-methyl-1-[4-(4-pyrimidylsulfamoyl)phenyl]pyrazol-4-yl]azo-N-(2-pyrimidyl)benzenesulfonamide Formula: C30H25N11O4S2 MolecularWeight: 667.7208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)S(=O)(=O)NC3=NC=NC=C3)NC4=CC=CC=C4)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)S(=O)(=O)NC3=NC=NC=C3)NC4=CC=CC=C4)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6

InChI

InChI=1S/C30H25N11O4S2/c1-21-28(37-36-23-8-12-25(13-9-23)47(44,45)40-30-32-17-5-18-33-30)29(35-22-6-3-2-4-7-22)38-41(21)24-10-14-26(15-11-24)46(42,43)39-27-16-19-31-20-34-27/h2-20H,1H3,(H,35,38)(H,31,34,39)(H,32,33,40)