3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylsulfinyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propan-1-amine

Systemtic Name: 3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylsulfinyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propan-1-amine Openeye Name: 3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylsulfinyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propan-1-amine CAS Name: 3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylsulfinyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propanamine IUPAC Name: 3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylsulfinyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propan-1-amine Traditional Name: 3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylsulfinyl)propyl-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amine Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)S(=O)CCCNCC3COC4=CC=CC=C4O3)OOC1

Isomeric SMILES

C1CC2=C(C=C(C=C2)S(=O)CCCNCC3COC4=CC=CC=C4O3)OOC1

InChI

InChI=1S/C21H25NO5S/c23-28(18-9-8-16-5-3-11-25-27-21(16)13-18)12-4-10-22-14-17-15-24-19-6-1-2-7-20(19)26-17/h1-2,6-9,13,17,22H,3-5,10-12,14-15H2