[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O5S/c1-30(26,27)24-11-15-5-3-2-4-14(15)10-17(24)20(25)28-12-18-22-23-19(29-18)13-6-8-16(21)9-7-13/h2-9,17H,10-12H2,1H3