[4-chloranyl-2-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-chloranyl-2-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-chloro-2-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-chloro-2-[[(3,3-dimethyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-chloro-2-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]phenyl] ester Formula: C18H28ClNO4S MolecularWeight: 389.93722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)CN(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C18H28ClNO4S/c1-13(2)11-20(17(21)10-18(3,4)5)12-14-9-15(19)7-8-16(14)24-25(6,22)23/h7-9,13H,10-12H2,1-6H3