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

Systemtic Name: methyl (3R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-25-20(22)17-11-14-5-2-3-6-15(14)13-21(17)28(23,24)16-7-8-18-19(12-16)27-10-4-9-26-18/h2-3,5-8,12,17H,4,9-11,13H2,1H3/t17-/m1/s1