[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-ethylbutanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-ethylbutanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C21H30N2O4S MolecularWeight: 406.5389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=C(C(=NN1C(C)(C)C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CC)C(=O)OC1=C(C(=NN1C(C)(C)C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H30N2O4S/c1-8-16(9-2)20(24)27-19-18(15(4)22-23(19)21(5,6)7)28(25,26)17-12-10-14(3)11-13-17/h10-13,16H,8-9H2,1-7H3