ethyl 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-phenyl-thiophene-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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