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

Systemtic Name: methyl 2-[2-(4-bromanyl-3-methyl-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-(4-bromo-3-methyl-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-bromo-3-methylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromo-3-methylphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-bromo-3-methyl-phenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC)Br

InChI

InChI=1S/C21H24BrNO6S/c1-13-9-15(5-6-17(13)22)30(25,26)23-8-7-14-10-19(27-2)20(28-3)11-16(14)18(23)12-21(24)29-4/h5-6,9-11,18H,7-8,12H2,1-4H3