[4-[[butanoyl-[(2R)-butan-2-yl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butanoyl-[(2R)-butan-2-yl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butanoyl-[(1R)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2R)-butan-2-yl]-(1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butanoyl-[(2R)-butan-2-yl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyryl-[(1R)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4S/c1-5-7-16(18)17(13(3)6-2)12-14-8-10-15(11-9-14)21-22(4,19)20/h8-11,13H,5-7,12H2,1-4H3/t13-/m1/s1