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

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane hydrochloride Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane hydrochloride CAS Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane hydrochloride IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane hydrochloride Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-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=CC(=C2)F)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5.Cl

Isomeric SMILES

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

InChI

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