1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-methylsulfonyl-1,4-diazepane

Systemtic Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-methylsulfonyl-1,4-diazepane Openeye Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-methylsulfonyl-1,4-diazepane CAS Name: 1-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-4-methylsulfonyl-1,4-diazepane IUPAC Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-methylsulfonyl-1,4-diazepane Traditional Name: 1-mesyl-4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H26N2O4S/c1-27-22-7-4-3-6-20(22)17-8-9-21-18(14-17)15-19(28-21)16-23-10-5-11-24(13-12-23)29(2,25)26/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3