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

Systemtic Name: methyl 4-fluoranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18F2N2O4S2 MolecularWeight: 452.494726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F2N2O4S2/c1-28-20(25)18-19(17-15(22)3-2-4-16(17)29-18)30(26,27)24-11-9-23(10-12-24)14-7-5-13(21)6-8-14/h2-8H,9-12H2,1H3