methyl (3R)-2-(3,4-diethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-(3,4-diethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(3,4-diethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(3,4-diethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(3,4-diethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(3,4-diethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC)OCC

InChI

InChI=1S/C21H25NO6S/c1-4-27-19-11-10-17(13-20(19)28-5-2)29(24,25)22-14-16-9-7-6-8-15(16)12-18(22)21(23)26-3/h6-11,13,18H,4-5,12,14H2,1-3H3/t18-/m1/s1