1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride

Systemtic Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride Openeye Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-(2-thienylsulfonyl)-1,4-diazepane hydrochloride CAS Name: 1-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride IUPAC Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride Traditional Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-(2-thienylsulfonyl)-1,4-diazepane hydrochloride Formula: C24H24ClFN2O3S2 MolecularWeight: 507.040363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F.Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F.Cl

InChI

InChI=1S/C24H23FN2O3S2.ClH/c25-21-5-1-4-18(15-21)19-7-8-23-20(14-19)16-22(30-23)17-26-9-3-10-27(12-11-26)32(28,29)24-6-2-13-31-24;/h1-2,4-8,13-16H,3,9-12,17H2;1H