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

Systemtic Name: methyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: methyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-4-(4-methylphenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-[4-(3-chlorophenyl)piperazino]sulfonyl-4-(p-tolyl)thiophene-2-carboxylic acid methyl ester Formula: C23H23ClN2O4S2 MolecularWeight: 491.02272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O4S2/c1-16-6-8-17(9-7-16)20-15-31-21(23(27)30-2)22(20)32(28,29)26-12-10-25(11-13-26)19-5-3-4-18(24)14-19/h3-9,14-15H,10-13H2,1-2H3