[4-[[[(2S)-butan-2-yl]-(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-methylpropanoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isobutyryl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4S/c1-6-13(4)17(16(18)12(2)3)11-14-7-9-15(10-8-14)21-22(5,19)20/h7-10,12-13H,6,11H2,1-5H3/t13-/m0/s1