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

Systemtic Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-(3-methoxyphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-(3-methoxyphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-4-(3-methoxyphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-4-(3-methoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-4-(3-methoxyphenyl)sulfonyl-1,4-diazepane Formula: C28H30N2O5S MolecularWeight: 506.6132

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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=CC=CC=C5OC

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC=CC=C5OC

InChI

InChI=1S/C28H30N2O5S/c1-33-23-7-5-8-25(19-23)36(31,32)30-14-6-13-29(15-16-30)20-24-18-22-17-21(11-12-27(22)35-24)26-9-3-4-10-28(26)34-2/h3-5,7-12,17-19H,6,13-16,20H2,1-2H3