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

Systemtic Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-methylsulfonyl-1,4-diazepane hydrochloride Openeye Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-methylsulfonyl-1,4-diazepane hydrochloride CAS Name: 1-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-4-methylsulfonyl-1,4-diazepane hydrochloride IUPAC Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-methylsulfonyl-1,4-diazepane hydrochloride Traditional Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-mesyl-1,4-diazepane hydrochloride Formula: C21H24ClFN2O3S MolecularWeight: 438.943263

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C21H23FN2O3S.ClH/c1-28(25,26)24-9-3-8-23(10-11-24)15-20-14-18-12-17(6-7-21(18)27-20)16-4-2-5-19(22)13-16;/h2,4-7,12-14H,3,8-11,15H2,1H3;1H