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

Systemtic Name: ethyl 4-fluoranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H20F2N2O4S2 MolecularWeight: 466.521306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F2N2O4S2/c1-2-29-21(26)19-20(18-16(23)4-3-5-17(18)30-19)31(27,28)25-12-10-24(11-13-25)15-8-6-14(22)7-9-15/h3-9H,2,10-13H2,1H3