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

Systemtic Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-[(2-methylsulfonylphenyl)methyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(2-mesylbenzyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C26H28N2O3S2/c1-33(29,30)26-6-3-2-5-21(26)17-27-10-4-11-28(13-12-27)18-24-16-23-15-20(7-8-25(23)31-24)22-9-14-32-19-22/h2-3,5-9,14-16,19H,4,10-13,17-18H2,1H3