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

Systemtic Name: 1-methylsulfonyl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-methylsulfonyl-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-methylsulfonyl-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-methylsulfonyl-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-mesyl-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CSC=C4

InChI

InChI=1S/C19H22N2O3S2/c1-26(22,23)21-7-2-6-20(8-9-21)13-18-12-17-11-15(3-4-19(17)24-18)16-5-10-25-14-16/h3-5,10-12,14H,2,6-9,13H2,1H3