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

Systemtic Name: [4-chloranyl-2-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-chloro-2-[[isobutyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-chloro-2-[[(3-methyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-chloro-2-[[isobutyl(isovaleryl)amino]methyl]phenyl] ester Formula: C17H26ClNO4S MolecularWeight: 375.91064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClNO4S/c1-12(2)8-17(20)19(10-13(3)4)11-14-9-15(18)6-7-16(14)23-24(5,21)22/h6-7,9,12-13H,8,10-11H2,1-5H3