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

Systemtic Name: propan-2-yl 4-[[3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)phenoxy]methyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[[3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)phenoxy]methyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)phenoxy]methyl]piperidine-1-carboxylic acid isopropyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)COC2=CC=CC(=C2)C3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)COC2=CC=CC(=C2)C3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C26H34N2O5S/c1-19(2)33-26(29)27-12-9-20(10-13-27)18-32-25-6-4-5-21(16-25)22-7-8-24-17-28(34(3,30)31)14-11-23(24)15-22/h4-8,15-16,19-20H,9-14,17-18H2,1-3H3