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

Systemtic Name: propan-2-yl 4-[[3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[[3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid isopropyl ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)CC2=NC(=NO2)C3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)CC2=NC(=NO2)C3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C22H30N4O5S/c1-15(2)30-22(27)25-9-6-16(7-10-25)12-20-23-21(24-31-20)18-4-5-19-14-26(32(3,28)29)11-8-17(19)13-18/h4-5,13,15-16H,6-12,14H2,1-3H3