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

Systemtic Name: ethyl 2-(4-methylphenyl)sulfonyl-7-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl 7-phenyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-7-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)sulfonyl-7-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 7-phenyl-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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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)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CC2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C=C2)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO4S/c1-3-30-25(27)24-16-21-12-11-20(19-7-5-4-6-8-19)15-22(21)17-26(24)31(28,29)23-13-9-18(2)10-14-23/h4-15,24H,3,16-17H2,1-2H3