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

Systemtic Name: methyl 2-[2-(3-chlorophenyl)sulfonyl-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-(3-chlorophenyl)sulfonyl-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(3-chlorophenyl)sulfonyl-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-chlorophenyl)sulfonyl-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(3-chlorophenyl)sulfonyl-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C22H26ClNO6S MolecularWeight: 467.96294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO6S/c1-4-29-20-11-15-9-10-24(31(26,27)17-8-6-7-16(23)12-17)19(14-22(25)28-3)18(15)13-21(20)30-5-2/h6-8,11-13,19H,4-5,9-10,14H2,1-3H3