methyl 2-[6,7-diethoxy-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[6,7-diethoxy-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-diethoxy-2-(4-isopropylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-diethoxy-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-diethoxy-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(6,7-diethoxy-2-p-cumenylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid methyl ester Formula: C25H33NO6S MolecularWeight: 475.59762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)C(C)C)CC(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)C(C)C)CC(=O)OC)OCC

InChI

InChI=1S/C25H33NO6S/c1-6-31-23-14-19-12-13-26(33(28,29)20-10-8-18(9-11-20)17(3)4)22(16-25(27)30-5)21(19)15-24(23)32-7-2/h8-11,14-15,17,22H,6-7,12-13,16H2,1-5H3