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

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

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)CC2=CC=CC=C2

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-4-17(3)22(21(23)15-18-10-7-6-8-11-18)16-19-12-9-13-20(14-19)26-27(24,25)5-2/h6-14,17H,4-5,15-16H2,1-3H3