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

Systemtic Name: methyl 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(4-chlorophenyl)piperazino]sulfonyl-4-fluoro-benzothiophene-2-carboxylic acid methyl ester Formula: C20H18ClFN2O4S2 MolecularWeight: 468.949323

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN2O4S2/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