2-(2-methoxy-5-nitro-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(2-methoxy-5-nitro-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(2-methoxy-5-nitro-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(2-methoxy-5-nitrophenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(2-methoxy-5-nitrophenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(2-methoxy-5-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=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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