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

Systemtic Name: (3R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H22N2O5S/c1-21-20(23)17-11-14-5-2-3-6-15(14)13-22(17)28(24,25)16-7-8-18-19(12-16)27-10-4-9-26-18/h2-3,5-8,12,17H,4,9-11,13H2,1H3,(H,21,23)/t17-/m1/s1