[4-[[3-methylbutyl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl(m-tolylcarbamoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-methylanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(m-tolylcarbamoyl)amino]methyl]phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-16(2)12-13-23(21(24)22-19-7-5-6-17(3)14-19)15-18-8-10-20(11-9-18)27-28(4,25)26/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,24)