ethyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(2-pyrimidyl)piperazino]sulfonylbenzothiophene-2-carboxylic acid ethyl ester Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H20N4O4S2/c1-2-27-18(24)16-17(14-6-3-4-7-15(14)28-16)29(25,26)23-12-10-22(11-13-23)19-20-8-5-9-21-19/h3-9H,2,10-13H2,1H3