tert-butyl 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H36N2O5S MolecularWeight: 452.60734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCOC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCOC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C23H36N2O5S/c1-23(2,3)30-22(26)24-12-9-18(10-13-24)6-5-15-29-21-8-7-19-11-14-25(31(4,27)28)17-20(19)16-21/h7-8,16,18H,5-6,9-15,17H2,1-4H3