ethyl 3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(2-thienylsulfonyl)piperazino]methyl]coumarilic acid ethyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N2O5S2/c1-2-26-20(23)19-16(15-6-3-4-7-17(15)27-19)14-21-9-11-22(12-10-21)29(24,25)18-8-5-13-28-18/h3-8,13H,2,9-12,14H2,1H3