3-tert-butyl-5-[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]phenyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]phenyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]phenyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]phenyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]phenyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[4-[(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]phenyl]-1,2,4-oxadiazole Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)C2=CC=C(C=C2)COC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)C2=CC=C(C=C2)COC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)22-24-21(30-25-22)17-7-5-16(6-8-17)15-29-20-10-9-19-14-26(31(4,27)28)12-11-18(19)13-20/h5-10,13H,11-12,14-15H2,1-4H3