2-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-(2,3-dimethyl-5-nitrophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(2,3-dimethyl-5-nitrophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6S/c1-12-7-16(21(22)23)10-19(13(12)2)28(24,25)20-6-5-14-8-17(26-3)18(27-4)9-15(14)11-20/h7-10H,5-6,11H2,1-4H3