tert-butyl 4-[[5-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[5-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H32N4O5S MolecularWeight: 476.58898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC2=NOC(=N2)C3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC2=NOC(=N2)C3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C23H32N4O5S/c1-23(2,3)31-22(28)26-10-7-16(8-11-26)13-20-24-21(32-25-20)18-5-6-19-15-27(33(4,29)30)12-9-17(19)14-18/h5-6,14,16H,7-13,15H2,1-4H3