ethyl 2-(4-methylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(4-methylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl 2-(p-tolylsulfonyl)-3,4,7,8-tetrahydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)sulfonyl-3,4,7,8-tetrahydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-tosyl-3,4,7,8-tetrahydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S/c1-3-24-19(21)18-12-15-6-4-5-7-16(15)13-20(18)25(22,23)17-10-8-14(2)9-11-17/h4,6,8-11,18H,3,5,7,12-13H2,1-2H3