[4-[[[(2S)-butan-2-yl]-(2-phenoxyethanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(2-phenoxyethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[[(1S)-1-methylpropyl]-(2-phenoxyacetyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2S)-butan-2-yl]-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(2-phenoxyacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[[(1S)-1-methylpropyl]-(2-phenoxyacetyl)amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)COC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H27NO5S/c1-4-17(3)22(21(23)16-26-19-9-7-6-8-10-19)15-18-11-13-20(14-12-18)27-28(24,25)5-2/h6-14,17H,4-5,15-16H2,1-3H3/t17-/m0/s1