[4-[[3-phenylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[3-phenylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isopropyl(3-phenylpropanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(1-oxo-3-phenylpropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[3-phenylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[hydrocinnamoyl(isopropyl)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=C(C=C1)CN(C(C)C)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)CCC2=CC=CC=C2

InChI

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