[4-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-methylsulfonyloxy-ethyl]-2-methylsulfanyl-phenyl] ethanoate

Systemtic Name: [4-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-methylsulfonyloxy-ethyl]-2-methylsulfanyl-phenyl] ethanoate Openeye Name: [4-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-methylsulfonyloxy-ethyl]-2-methylsulfanyl-phenyl] acetate CAS Name: acetic acid [4-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-1-methylsulfonyloxyethyl]-2-(methylthio)phenyl] ester IUPAC Name: [4-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-1-methylsulfonyloxyethyl]-2-methylsulfanylphenyl] acetate Traditional Name: acetic acid [4-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-methylsulfonyloxy-ethyl]-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)C(CNC(C)(C)CC2=CC=CC=C2)OS(=O)(=O)C)SC

Isomeric SMILES

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

InChI

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