[4-[3-tert-butyl-5-(pyrimidin-4-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl N-(dimethylsulfamoyl)carbamate

Systemtic Name: [4-[3-tert-butyl-5-(pyrimidin-4-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl N-(dimethylsulfamoyl)carbamate Openeye Name: [4-[3-tert-butyl-5-(pyrimidin-4-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl N-(dimethylsulfamoyl)carbamate CAS Name: N-(dimethylsulfamoyl)carbamic acid [4-[3-tert-butyl-5-[[oxo-(4-pyrimidinylamino)methyl]amino]-1-pyrazolyl]phenyl]methyl ester IUPAC Name: [4-[3-tert-butyl-5-(pyrimidin-4-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl N-(dimethylsulfamoyl)carbamate Traditional Name: N-(dimethylsulfamoyl)carbamic acid [4-[3-tert-butyl-5-(4-pyrimidylcarbamoylamino)pyrazol-1-yl]benzyl] ester Formula: C22H28N8O5S MolecularWeight: 516.57332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=NC=NC=C2)C3=CC=C(C=C3)COC(=O)NS(=O)(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=NC=NC=C2)C3=CC=C(C=C3)COC(=O)NS(=O)(=O)N(C)C

InChI

InChI=1S/C22H28N8O5S/c1-22(2,3)17-12-19(26-20(31)25-18-10-11-23-14-24-18)30(27-17)16-8-6-15(7-9-16)13-35-21(32)28-36(33,34)29(4)5/h6-12,14H,13H2,1-5H3,(H,28,32)(H2,23,24,25,26,31)