methyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: methyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-4-(4-methylphenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-4-(p-tolyl)thiophene-2-carboxylic acid methyl ester Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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