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

Systemtic Name: 6-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]sesamol Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C19H21FN2O5S/c20-15-2-4-16(5-3-15)28(24,25)22-7-1-6-21(8-9-22)12-14-10-18-19(11-17(14)23)27-13-26-18/h2-5,10-11,23H,1,6-9,12-13H2