2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC1

InChI

InChI=1S/C18H19NO4S/c20-24(21,19-9-8-14-4-1-2-5-15(14)13-19)16-6-7-17-18(12-16)23-11-3-10-22-17/h1-2,4-7,12H,3,8-11,13H2