[2-(2,4-dimethylphenyl)-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] pentanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] pentanoate Openeye Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] pentanoate CAS Name: pentanoic acid [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] pentanoate Traditional Name: valeric acid [4-besyl-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] ester Formula: C23H26N2O4S MolecularWeight: 426.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=NN1C2=C(C=C(C=C2)C)C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)OC1=C(C(=NN1C2=C(C=C(C=C2)C)C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4S/c1-5-6-12-21(26)29-23-22(30(27,28)19-10-8-7-9-11-19)18(4)24-25(23)20-14-13-16(2)15-17(20)3/h7-11,13-15H,5-6,12H2,1-4H3