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

Systemtic Name: methyl 3-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-4-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-4-(4-methylphenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-[4-(4-acetylphenyl)piperazino]sulfonyl-4-(p-tolyl)thiophene-2-carboxylic acid methyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5S2/c1-17-4-6-20(7-5-17)22-16-33-23(25(29)32-3)24(22)34(30,31)27-14-12-26(13-15-27)21-10-8-19(9-11-21)18(2)28/h4-11,16H,12-15H2,1-3H3