[3-[[[(2R)-butan-2-yl]-hexanoyl-amino]methyl]phenyl] ethanesulfonate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)[C@H](C)CC

InChI

InChI=1S/C19H31NO4S/c1-5-8-9-13-19(21)20(16(4)6-2)15-17-11-10-12-18(14-17)24-25(22,23)7-3/h10-12,14,16H,5-9,13,15H2,1-4H3/t16-/m1/s1