ethyl 3-[[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-(4-cyanophenyl)sulfonyl-1-piperazinyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(4-cyanophenyl)sulfonylpiperazino]methyl]coumarilic acid ethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5S/c1-2-30-23(27)22-20(19-5-3-4-6-21(19)31-22)16-25-11-13-26(14-12-25)32(28,29)18-9-7-17(15-24)8-10-18/h3-10H,2,11-14,16H2,1H3