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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)N)OC1

InChI

InChI=1S/C19H20N2O5S/c20-19(22)16-10-13-4-1-2-5-14(13)12-21(16)27(23,24)15-6-7-17-18(11-15)26-9-3-8-25-17/h1-2,4-7,11,16H,3,8-10,12H2,(H2,20,22)