methyl 2-[6,7-dimethoxy-2-(4-methoxy-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[6,7-dimethoxy-2-(4-methoxy-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-dimethoxy-2-(4-methoxy-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-dimethoxy-2-(4-methoxy-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-dimethoxy-2-(4-methoxy-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[6,7-dimethoxy-2-(4-methoxy-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C21H24N2O9S MolecularWeight: 480.48826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O9S/c1-29-18-6-5-14(10-17(18)23(25)26)33(27,28)22-8-7-13-9-19(30-2)20(31-3)11-15(13)16(22)12-21(24)32-4/h5-6,9-11,16H,7-8,12H2,1-4H3