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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)CC(C)(C)C

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)CC(C)(C)C

InChI

InChI=1S/C24H33NO5S/c1-7-18(2)25(23(26)16-24(3,4)5)17-19-9-8-10-21(15-19)30-31(27,28)22-13-11-20(29-6)12-14-22/h8-15,18H,7,16-17H2,1-6H3