methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-4-(4-methylphenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-4-(p-tolyl)thiophene-2-carboxylic acid methyl ester Formula: C25H28N2O4S2 MolecularWeight: 484.63082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)C(=O)OC

InChI

InChI=1S/C25H28N2O4S2/c1-17-8-10-20(11-9-17)21-16-32-23(25(28)31-4)24(21)33(29,30)27-14-12-26(13-15-27)22-7-5-6-18(2)19(22)3/h5-11,16H,12-15H2,1-4H3