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

Systemtic Name: 1-(3-methoxyphenyl)sulfonyl-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane Openeye Name: 1-(3-methoxyphenyl)sulfonyl-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-(3-methoxyphenyl)sulfonyl-4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-(3-methoxyphenyl)sulfonyl-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane Traditional Name: 1-(3-methoxyphenyl)sulfonyl-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C28H30N2O4S MolecularWeight: 490.6138

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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=CC(=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O4S/c1-21-7-9-22(10-8-21)23-11-12-28-24(17-23)18-26(34-28)20-29-13-4-14-30(16-15-29)35(31,32)27-6-3-5-25(19-27)33-2/h3,5-12,17-19H,4,13-16,20H2,1-2H3