methyl 4-fluoranyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-fluoranyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-fluoro-3-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[4-(2-pyridyl)piperazino]sulfonyl-benzothiophene-2-carboxylic acid methyl ester Formula: C19H18FN3O4S2 MolecularWeight: 435.492323

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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=CC=N4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C19H18FN3O4S2/c1-27-19(24)17-18(16-13(20)5-4-6-14(16)28-17)29(25,26)23-11-9-22(10-12-23)15-7-2-3-8-21-15/h2-8H,9-12H2,1H3