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

Systemtic Name: 1-[(5-chloranyl-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride Openeye Name: 1-[(5-chlorobenzofuran-2-yl)methyl]-4-(2-thienylsulfonyl)-1,4-diazepane hydrochloride CAS Name: 1-[(5-chloro-2-benzofuranyl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride IUPAC Name: 1-[(5-chloro-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride Traditional Name: 1-[(5-chlorobenzofuran-2-yl)methyl]-4-(2-thienylsulfonyl)-1,4-diazepane hydrochloride Formula: C18H20Cl2N2O3S2 MolecularWeight: 447.399

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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)Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3S2.ClH/c19-15-4-5-17-14(11-15)12-16(24-17)13-20-6-2-7-21(9-8-20)26(22,23)18-3-1-10-25-18;/h1,3-5,10-12H,2,6-9,13H2;1H