[3-[[2-methylpropyl(2-phenylethanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methylpropyl(2-phenylethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl-(2-phenylacetyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl-(1-oxo-2-phenylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(2-phenylacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl-(2-phenylacetyl)amino]methyl]phenyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-4-27(24,25)26-20-12-8-11-19(13-20)16-22(15-17(2)3)21(23)14-18-9-6-5-7-10-18/h5-13,17H,4,14-16H2,1-3H3