(4-cyanophenyl)methyl 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-cyanobenzyl) ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22N2O4S/c1-18-6-12-23(13-7-18)32(29,30)27-16-22-5-3-2-4-21(22)14-24(27)25(28)31-17-20-10-8-19(15-26)9-11-20/h2-13,24H,14,16-17H2,1H3