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

Systemtic Name: methyl 4-fluoranyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-fluoro-3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[4-(3-methoxyphenyl)piperazino]sulfonyl-benzothiophene-2-carboxylic acid methyl ester Formula: C21H21FN2O5S2 MolecularWeight: 464.530243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC4=CC=CC(=C43)F)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC4=CC=CC(=C43)F)C(=O)OC

InChI

InChI=1S/C21H21FN2O5S2/c1-28-15-6-3-5-14(13-15)23-9-11-24(12-10-23)31(26,27)20-18-16(22)7-4-8-17(18)30-19(20)21(25)29-2/h3-8,13H,9-12H2,1-2H3