ethyl 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]coumarilic acid ethyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H31N3O5S/c1-2-29-22(26)21-19(18-9-5-6-10-20(18)30-21)17-23-13-15-25(16-14-23)31(27,28)24-11-7-3-4-8-12-24/h5-6,9-10H,2-4,7-8,11-17H2,1H3