2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone

Systemtic Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone Openeye Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone IUPAC Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-(4-mesyl-1,4-diazepan-1-yl)ethanone Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C18H24N2O4S/c1-13-5-6-16-15(12-24-18(16)14(13)2)11-17(21)19-7-4-8-20(10-9-19)25(3,22)23/h5-6,12H,4,7-11H2,1-3H3