(3R)-N-methyl-2-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-methyl-2-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-methyl-2-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-methyl-2-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-methyl-2-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-methyl-2-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7S/c1-21-20(24)16-9-13-5-2-3-6-14(13)12-22(16)31(27,28)19-11-18-17(10-15(19)23(25)26)29-7-4-8-30-18/h2-3,5-6,10-11,16H,4,7-9,12H2,1H3,(H,21,24)/t16-/m1/s1