[4-[[butyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-(3,3-dimethyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4S/c1-6-7-12-19(17(20)13-18(2,3)4)14-15-8-10-16(11-9-15)23-24(5,21)22/h8-11H,6-7,12-14H2,1-5H3