[3-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[(3,3-dimethyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]phenyl] ester Formula: C24H33NO5S MolecularWeight: 447.58752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)CC(C)(C)C

InChI

InChI=1S/C24H33NO5S/c1-18(2)16-25(23(26)15-24(3,4)5)17-19-8-7-9-21(14-19)30-31(27,28)22-12-10-20(29-6)11-13-22/h7-14,18H,15-17H2,1-6H3