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

Systemtic Name: [4-[[3-methylbutanoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutanoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(isovaleryl)amino]methyl]phenyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CC(C)C

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CC(C)C

InChI

InChI=1S/C18H29NO4S/c1-14(2)10-11-19(18(20)12-15(3)4)13-16-6-8-17(9-7-16)23-24(5,21)22/h6-9,14-15H,10-13H2,1-5H3