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

Systemtic Name: [3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H22FN3O5S MolecularWeight: 459.490583

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=NC(=NO3)C4=CC(=C(C=C4)C)F

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=NC(=NO3)C4=CC(=C(C=C4)C)F

InChI

InChI=1S/C22H22FN3O5S/c1-3-32(28,29)26-12-17-7-5-4-6-15(17)11-19(26)22(27)30-13-20-24-21(25-31-20)16-9-8-14(2)18(23)10-16/h4-10,19H,3,11-13H2,1-2H3