[3-[[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2,4-dimethylphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2,4-dimethylanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(2,4-dimethylphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-15(2)13-23(21(24)22-20-10-9-16(3)11-17(20)4)14-18-7-6-8-19(12-18)27-28(5,25)26/h6-12,15H,13-14H2,1-5H3,(H,22,24)