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

Systemtic Name: [3-[[2-methoxyethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[(2-methoxy-1-oxoethyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-methoxyacetyl)-(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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)COC

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-16(2)13-22(21(23)15-26-3)14-17-6-5-7-19(12-17)28-29(24,25)20-10-8-18(27-4)9-11-20/h5-12,16H,13-15H2,1-4H3