1-(3-methoxyphenyl)sulfonyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-(3-methoxyphenyl)sulfonyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-(3-methoxyphenyl)sulfonyl-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-(3-methoxyphenyl)sulfonyl-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-(3-methoxyphenyl)sulfonyl-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(3-methoxyphenyl)sulfonyl-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C26H27N3O4S/c1-32-23-6-2-7-25(17-23)34(30,31)29-12-4-11-28(13-14-29)19-24-16-22-15-20(8-9-26(22)33-24)21-5-3-10-27-18-21/h2-3,5-10,15-18H,4,11-14,19H2,1H3