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

Systemtic Name: [3-[[[(2R)-butan-2-yl]-hexanoyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[hexanoyl-[(1R)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2R)-butan-2-yl]-(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2R)-butan-2-yl]-hexanoylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[caproyl-[(1R)-1-methylpropyl]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)C(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4S/c1-5-7-8-12-18(20)19(15(3)6-2)14-16-10-9-11-17(13-16)23-24(4,21)22/h9-11,13,15H,5-8,12,14H2,1-4H3/t15-/m1/s1