[3-[[(2-methyl-1-phenyl-propan-2-yl)amino]methyl]-2-methylsulfanyl-4-(methylsulfonyloxymethyl)phenyl] ethanoate

Systemtic Name: [3-[[(2-methyl-1-phenyl-propan-2-yl)amino]methyl]-2-methylsulfanyl-4-(methylsulfonyloxymethyl)phenyl] ethanoate Openeye Name: [3-[[(1,1-dimethyl-2-phenyl-ethyl)amino]methyl]-2-methylsulfanyl-4-(methylsulfonyloxymethyl)phenyl] acetate CAS Name: acetic acid [3-[[(2-methyl-1-phenylpropan-2-yl)amino]methyl]-4-(methylsulfonyloxymethyl)-2-(methylthio)phenyl] ester IUPAC Name: [3-[[(2-methyl-1-phenylpropan-2-yl)amino]methyl]-2-methylsulfanyl-4-(methylsulfonyloxymethyl)phenyl] acetate Traditional Name: acetic acid [3-[[(1,1-dimethyl-2-phenyl-ethyl)amino]methyl]-4-(methylsulfonyloxymethyl)-2-(methylthio)phenyl] ester Formula: C22H29NO5S2 MolecularWeight: 451.59936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C=C1)COS(=O)(=O)C)CNC(C)(C)CC2=CC=CC=C2)SC

Isomeric SMILES

CC(=O)OC1=C(C(=C(C=C1)COS(=O)(=O)C)CNC(C)(C)CC2=CC=CC=C2)SC

InChI

InChI=1S/C22H29NO5S2/c1-16(24)28-20-12-11-18(15-27-30(5,25)26)19(21(20)29-4)14-23-22(2,3)13-17-9-7-6-8-10-17/h6-12,23H,13-15H2,1-5H3