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

Systemtic Name: ethyl 3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[4-(2-pyridyl)piperazin-1-yl]sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-[4-(2-pyridyl)piperazino]sulfonylbenzothiophene-2-carboxylic acid ethyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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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=N4

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S2/c1-2-27-20(24)18-19(15-7-3-4-8-16(15)28-18)29(25,26)23-13-11-22(12-14-23)17-9-5-6-10-21-17/h3-10H,2,11-14H2,1H3