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

Systemtic Name: ethyl 7-chloranyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: ethyl 7-chloro-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 7-chloro-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 7-chloro-2-tosyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid ethyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=C(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2)Cl

Isomeric SMILES

CCOC(=O)C1C2=C(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2)Cl

InChI

InChI=1S/C19H20ClNO4S/c1-3-25-19(22)18-17-12-15(20)7-6-14(17)10-11-21(18)26(23,24)16-8-4-13(2)5-9-16/h4-9,12,18H,3,10-11H2,1-2H3