1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(2,2-dimethylcoumaran-7-yl)oxy-ethanone Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C22H33N3O5S/c1-22(2)16-18-8-7-9-19(21(18)30-22)29-17-20(26)23-12-14-25(15-13-23)31(27,28)24-10-5-3-4-6-11-24/h7-9H,3-6,10-17H2,1-2H3