ethyl 3-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[4-(4-acetylphenyl)piperazin-1-yl]sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(4-acetylphenyl)piperazino]sulfonylbenzothiophene-2-carboxylic acid ethyl ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C23H24N2O5S2/c1-3-30-23(27)21-22(19-6-4-5-7-20(19)31-21)32(28,29)25-14-12-24(13-15-25)18-10-8-17(9-11-18)16(2)26/h4-11H,3,12-15H2,1-2H3