[4-[[2-(4-methoxyphenyl)ethanoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-(4-methoxyphenyl)ethanoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl-[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[2-(4-methoxyphenyl)-1-oxoethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyl-[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-5-29(25,26)28-21-12-8-19(9-13-21)16-23(15-17(2)3)22(24)14-18-6-10-20(27-4)11-7-18/h6-13,17H,5,14-16H2,1-4H3