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

Systemtic Name: ethyl 6-(hydroxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl 6-(hydroxymethyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 6-(hydroxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(hydroxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 6-methylol-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2)CO

Isomeric SMILES

CCOC(=O)C1CC2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2)CO

InChI

InChI=1S/C20H23NO5S/c1-3-26-20(23)19-11-17-10-15(13-22)6-7-16(17)12-21(19)27(24,25)18-8-4-14(2)5-9-18/h4-10,19,22H,3,11-13H2,1-2H3