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

Systemtic Name: ethyl 7-(2-hydroxyethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl 7-(2-hydroxyethyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 7-(2-hydroxyethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-hydroxyethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 7-(2-hydroxyethyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-3-27-21(24)20-13-17-7-6-16(10-11-23)12-18(17)14-22(20)28(25,26)19-8-4-15(2)5-9-19/h4-9,12,20,23H,3,10-11,13-14H2,1-2H3