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

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(4-chloro-3-nitro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-(4-chloro-3-nitrophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(4-chloro-3-nitrophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-chloro-3-nitro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C17H17ClN2O6S MolecularWeight: 412.84468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17ClN2O6S/c1-25-16-7-11-5-6-19(10-12(11)8-17(16)26-2)27(23,24)13-3-4-14(18)15(9-13)20(21)22/h3-4,7-9H,5-6,10H2,1-2H3