[2-methyl-4-(4-methylphenyl)phenyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-methyl-4-(4-methylphenyl)phenyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-methyl-4-(p-tolyl)phenyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-methyl-4-(4-methylphenyl)phenyl] ester IUPAC Name: [2-methyl-4-(4-methylphenyl)phenyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-methyl-4-(p-tolyl)phenyl] ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OC3=C(C=C(C=C3)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OC3=C(C=C(C=C3)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C26H27NO4S/c1-4-32(29,30)27-17-23-8-6-5-7-21(23)16-24(27)26(28)31-25-14-13-22(15-19(25)3)20-11-9-18(2)10-12-20/h5-15,24H,4,16-17H2,1-3H3/t24-/m0/s1