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

Systemtic Name: methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzothiophene-2-carboxylic acid methyl ester Formula: C20H19FN2O4S2 MolecularWeight: 434.504263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O4S2/c1-27-20(24)18-19(16-4-2-3-5-17(16)28-18)29(25,26)23-12-10-22(11-13-23)15-8-6-14(21)7-9-15/h2-9H,10-13H2,1H3