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

Systemtic Name: 2-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C18H19ClN2O6S MolecularWeight: 426.87126

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O6S/c1-11-15(19)8-14(9-16(11)21(22)23)28(24,25)20-5-4-12-6-17(26-2)18(27-3)7-13(12)10-20/h6-9H,4-5,10H2,1-3H3