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

Systemtic Name: methyl 2-[6,7-dimethoxy-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-dimethoxy-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-dimethoxy-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-dimethoxy-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(6,7-dimethoxy-2-nosyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid methyl ester Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)OC)OC

InChI

InChI=1S/C20H22N2O8S/c1-28-18-10-13-8-9-21(17(12-20(23)30-3)16(13)11-19(18)29-2)31(26,27)15-6-4-14(5-7-15)22(24)25/h4-7,10-11,17H,8-9,12H2,1-3H3