1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride

Systemtic Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride Openeye Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-(2-thienylsulfonyl)-1,4-diazepane hydrochloride CAS Name: 1-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride IUPAC Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride Traditional Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-(2-thienylsulfonyl)-1,4-diazepane hydrochloride Formula: C25H27ClN2O4S2 MolecularWeight: 519.07588

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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)C5=CC=CS5.Cl

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)S(=O)(=O)C5=CC=CS5.Cl

InChI

InChI=1S/C25H26N2O4S2.ClH/c1-30-24-7-3-2-6-22(24)19-9-10-23-20(16-19)17-21(31-23)18-26-11-5-12-27(14-13-26)33(28,29)25-8-4-15-32-25;/h2-4,6-10,15-17H,5,11-14,18H2,1H3;1H