(3R)-2-(4-methoxy-2-nitro-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(4-methoxy-2-nitro-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(4-methoxy-2-nitro-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-(4-methoxy-2-nitrophenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(4-methoxy-2-nitrophenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(4-methoxy-2-nitro-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-19-18(22)16-9-12-5-3-4-6-13(12)11-20(16)28(25,26)17-8-7-14(27-2)10-15(17)21(23)24/h3-8,10,16H,9,11H2,1-2H3,(H,19,22)/t16-/m1/s1