6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(4-tosyl-1,4-diazepan-1-yl)methyl]sesamol Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C20H24N2O5S/c1-15-3-5-17(6-4-15)28(24,25)22-8-2-7-21(9-10-22)13-16-11-19-20(12-18(16)23)27-14-26-19/h3-6,11-12,23H,2,7-10,13-14H2,1H3