[2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-methoxybenzenesulfonate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-methoxybenzenesulfonate Openeye Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-(2,4-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propylpyrazol-3-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H24N2O4S/c1-5-6-17-14-21(23(22-17)20-12-7-15(2)13-16(20)3)27-28(24,25)19-10-8-18(26-4)9-11-19/h7-14H,5-6H2,1-4H3