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

Systemtic Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3,4-dimethylphenyl)carbamoyl-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3,4-dimethylanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3,4-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=C(C=C1)NC(=O)N(CCC(C)C)CC2=CC=C(C=C2)OS(=O)(=O)C)C

Isomeric SMILES

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

InChI

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