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

Systemtic Name: [3-[[hexanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[hexanoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[hexanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[caproyl(isobutyl)amino]methyl]phenyl] ester Formula: C19H31NO4S MolecularWeight: 369.51874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO4S/c1-5-7-8-12-19(21)20(14-16(3)4)15-17-10-9-11-18(13-17)24-25(22,23)6-2/h9-11,13,16H,5-8,12,14-15H2,1-4H3