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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC(=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)14-7-8-17(27-2)15(10-14)21(23)24/h3-8,10,16H,9,11H2,1-2H3,(H,19,22)