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

Systemtic Name: [4-[[(2,3-dimethylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2,3-dimethylphenyl)carbamoyl-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2,3-dimethylanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,3-dimethylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2,3-dimethylphenyl)carbamoyl-isoamyl-amino]methyl]phenyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-16(2)13-14-24(22(25)23-21-8-6-7-17(3)18(21)4)15-19-9-11-20(12-10-19)28-29(5,26)27/h6-12,16H,13-15H2,1-5H3,(H,23,25)