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

Systemtic Name: methyl 2-[6,7-dimethoxy-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-dimethoxy-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-dimethoxy-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-dimethoxy-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-mesitylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid methyl ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6S/c1-14-9-15(2)23(16(3)10-14)31(26,27)24-8-7-17-11-20(28-4)21(29-5)12-18(17)19(24)13-22(25)30-6/h9-12,19H,7-8,13H2,1-6H3