[5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] 4-phenylbutanoate

Systemtic Name: [5-methyl-2-phenyl-4-(phenylsulfonyl)pyrazol-3-yl] 4-phenylbutanoate Openeye Name: [4-(benzenesulfonyl)-5-methyl-2-phenyl-pyrazol-3-yl] 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid [4-(benzenesulfonyl)-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-5-methyl-2-phenylpyrazol-3-yl] 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid (4-besyl-5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C26H24N2O4S MolecularWeight: 460.54476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S/c1-20-25(33(30,31)23-17-9-4-10-18-23)26(28(27-20)22-15-7-3-8-16-22)32-24(29)19-11-14-21-12-5-2-6-13-21/h2-10,12-13,15-18H,11,14,19H2,1H3