[3-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(3,5-dimethoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(3,5-dimethoxyphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H28N2O6S/c1-15(2)13-23(14-16-7-6-8-18(9-16)29-30(5,25)26)21(24)22-17-10-19(27-3)12-20(11-17)28-4/h6-12,15H,13-14H2,1-5H3,(H,22,24)