ethyl 6,7-bis(hydroxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl 6,7-bis(hydroxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl 6,7-bis(hydroxymethyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 6,7-bis(hydroxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-bis(hydroxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 6,7-dimethylol-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC(=C(C=C2CN1S(=O)(=O)C3=CC=C(C=C3)C)CO)CO

Isomeric SMILES

CCOC(=O)C1CC2=CC(=C(C=C2CN1S(=O)(=O)C3=CC=C(C=C3)C)CO)CO

InChI

InChI=1S/C21H25NO6S/c1-3-28-21(25)20-10-15-8-17(12-23)18(13-24)9-16(15)11-22(20)29(26,27)19-6-4-14(2)5-7-19/h4-9,20,23-24H,3,10-13H2,1-2H3