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

Systemtic Name: ethyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H30N2O4S2 MolecularWeight: 498.6574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CS1)C2=CC=C(C=C2)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CS1)C2=CC=C(C=C2)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C26H30N2O4S2/c1-5-32-26(29)24-25(22(17-33-24)21-11-9-18(2)10-12-21)34(30,31)28-15-13-27(14-16-28)23-8-6-7-19(3)20(23)4/h6-12,17H,5,13-16H2,1-4H3