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

Systemtic Name: methyl 3-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(4-acetylphenyl)piperazino]sulfonyl-4-fluoro-benzothiophene-2-carboxylic acid methyl ester Formula: C22H21FN2O5S2 MolecularWeight: 476.540943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC4=CC=CC(=C43)F)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC4=CC=CC(=C43)F)C(=O)OC

InChI

InChI=1S/C22H21FN2O5S2/c1-14(26)15-6-8-16(9-7-15)24-10-12-25(13-11-24)32(28,29)21-19-17(23)4-3-5-18(19)31-20(21)22(27)30-2/h3-9H,10-13H2,1-2H3