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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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