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

Systemtic Name: ethyl 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(2-fluorophenyl)piperazino]sulfonylbenzothiophene-2-carboxylic acid ethyl ester Formula: C21H21FN2O4S2 MolecularWeight: 448.530843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H21FN2O4S2/c1-2-28-21(25)19-20(15-7-3-6-10-18(15)29-19)30(26,27)24-13-11-23(12-14-24)17-9-5-4-8-16(17)22/h3-10H,2,11-14H2,1H3