[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl N-(dimethylsulfamoyl)carbamate

Systemtic Name: [4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl N-(dimethylsulfamoyl)carbamate Openeye Name: [4-[3-tert-butyl-5-(2-quinolylcarbamoylamino)pyrazol-1-yl]phenyl]methyl N-(dimethylsulfamoyl)carbamate CAS Name: N-(dimethylsulfamoyl)carbamic acid [4-[3-tert-butyl-5-[[oxo-(2-quinolinylamino)methyl]amino]-1-pyrazolyl]phenyl]methyl ester IUPAC Name: [4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl N-(dimethylsulfamoyl)carbamate Traditional Name: N-(dimethylsulfamoyl)carbamic acid [4-[3-tert-butyl-5-(2-quinolylcarbamoylamino)pyrazol-1-yl]benzyl] ester Formula: C27H31N7O5S MolecularWeight: 565.64394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)COC(=O)NS(=O)(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)COC(=O)NS(=O)(=O)N(C)C

InChI

InChI=1S/C27H31N7O5S/c1-27(2,3)22-16-24(30-25(35)29-23-15-12-19-8-6-7-9-21(19)28-23)34(31-22)20-13-10-18(11-14-20)17-39-26(36)32-40(37,38)33(4)5/h6-16H,17H2,1-5H3,(H,32,36)(H2,28,29,30,35)