methyl 1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 1-cyclohexyl-5-(4-mesylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCCCC3

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCCCC3

InChI

InChI=1S/C18H22N2O4S/c1-24-18(21)16-12-17(20(19-16)14-6-4-3-5-7-14)13-8-10-15(11-9-13)25(2,22)23/h8-12,14H,3-7H2,1-2H3