methyl 4-(4-chlorophenyl)-3-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonyl]pyrrole-3-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-3-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonyl]pyrrole-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-3-[[4-(p-tolyl)-1H-pyrazol-5-yl]sulfonyl]pyrrole-3-carboxylate CAS Name: 4-(4-chlorophenyl)-3-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-3-[[4-(4-methylphenyl)-1H-pyrazol-5-yl]sulfonyl]pyrrole-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-[[4-(p-tolyl)-1H-pyrazol-5-yl]sulfonyl]pyrrole-3-carboxylic acid methyl ester Formula: C22H18ClN3O4S MolecularWeight: 455.91402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NN=C2)S(=O)(=O)C3(C=NC=C3C4=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NN=C2)S(=O)(=O)C3(C=NC=C3C4=CC=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C22H18ClN3O4S/c1-14-3-5-15(6-4-14)18-11-25-26-20(18)31(28,29)22(21(27)30-2)13-24-12-19(22)16-7-9-17(23)10-8-16/h3-13H,1-2H3,(H,25,26)