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

Systemtic Name: 6,7-dimethoxy-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C18H20N2O6S/c1-12-4-5-15(20(21)22)10-18(12)27(23,24)19-7-6-13-8-16(25-2)17(26-3)9-14(13)11-19/h4-5,8-10H,6-7,11H2,1-3H3