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

Systemtic Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride Openeye Name: 1-[[5-(p-tolyl)benzofuran-2-yl]methyl]-4-(2-thienylsulfonyl)-1,4-diazepane hydrochloride CAS Name: 1-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride IUPAC Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane hydrochloride Traditional Name: 1-[[5-(p-tolyl)benzofuran-2-yl]methyl]-4-(2-thienylsulfonyl)-1,4-diazepane hydrochloride Formula: C25H27ClN2O3S2 MolecularWeight: 503.07648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)S(=O)(=O)C5=CC=CS5.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)S(=O)(=O)C5=CC=CS5.Cl

InChI

InChI=1S/C25H26N2O3S2.ClH/c1-19-5-7-20(8-6-19)21-9-10-24-22(16-21)17-23(30-24)18-26-11-3-12-27(14-13-26)32(28,29)25-4-2-15-31-25;/h2,4-10,15-17H,3,11-14,18H2,1H3;1H