[3-[[[(2S)-butan-2-yl]-propanoyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-propanoyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[[(1S)-1-methylpropyl]-propanoyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-(1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-propanoylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[[(1S)-1-methylpropyl]-propionyl-amino]methyl]phenyl] ester Formula: C16H25NO4S MolecularWeight: 327.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4S/c1-5-13(4)17(16(18)6-2)12-14-9-8-10-15(11-14)21-22(19,20)7-3/h8-11,13H,5-7,12H2,1-4H3/t13-/m0/s1