[3-[[hexanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[hexanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[hexanoyl(isobutyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methylpropyl(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[hexanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[caproyl(isobutyl)amino]methyl]phenyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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