[3-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[isopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[(2-methyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[isobutyryl(isopropyl)amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-15(2)21(23)22(16(3)4)14-17-7-6-8-19(13-17)27-28(24,25)20-11-9-18(26-5)10-12-20/h6-13,15-16H,14H2,1-5H3