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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-propanoyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[[(1S)-1-methylpropyl]-propanoyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-(1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-propanoylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(1S)-1-methylpropyl]-propionyl-amino]methyl]phenyl] ester Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO4S/c1-5-12(3)16(15(17)6-2)11-13-7-9-14(10-8-13)20-21(4,18)19/h7-10,12H,5-6,11H2,1-4H3/t12-/m0/s1