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

Systemtic Name: ethyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(3-chlorophenyl)piperazino]sulfonyl-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H20ClFN2O4S2 MolecularWeight: 482.975903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O4S2/c1-2-29-21(26)19-20(18-16(23)7-4-8-17(18)30-19)31(27,28)25-11-9-24(10-12-25)15-6-3-5-14(22)13-15/h3-8,13H,2,9-12H2,1H3