[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=NOC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=NOC(=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H23N3O5S/c1-3-31(27,28)25-13-18-7-5-4-6-17(18)12-19(25)22(26)29-14-20-23-21(30-24-20)16-10-8-15(2)9-11-16/h4-11,19H,3,12-14H2,1-2H3/t19-/m0/s1