[5-[[ethanoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [5-[[ethanoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[acetyl(isobutyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-[[acetyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[acetyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[acetyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-15(2)13-22(16(3)23)14-17-6-11-20(27-5)21(12-17)28-29(24,25)19-9-7-18(26-4)8-10-19/h6-12,15H,13-14H2,1-5H3