propan-2-yl 4-[4-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-oxidanylidene-butyl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[4-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-oxidanylidene-butyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[4-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-oxo-butyl]piperidine-1-carboxylate CAS Name: 4-[4-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-oxobutyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-oxobutyl]piperidine-1-carboxylate Traditional Name: 4-[4-keto-4-(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)butyl]piperidine-1-carboxylic acid isopropyl ester Formula: C23H34N2O5S MolecularWeight: 450.59146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)CCCC(=O)C2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)CCCC(=O)C2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C23H34N2O5S/c1-17(2)30-23(27)24-12-9-18(10-13-24)5-4-6-22(26)20-7-8-21-16-25(31(3,28)29)14-11-19(21)15-20/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3