[3-[[(3-methylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(3-methylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isobutyl(m-tolylcarbamoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(3-methylanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-methylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isobutyl(m-tolylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C

InChI

InChI=1S/C20H26N2O4S/c1-15(2)13-22(20(23)21-18-9-5-7-16(3)11-18)14-17-8-6-10-19(12-17)26-27(4,24)25/h5-12,15H,13-14H2,1-4H3,(H,21,23)