[4-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[cyclopropyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[cyclopropyl(isobutyryl)amino]methyl]phenyl] ester Formula: C16H23NO4S MolecularWeight: 325.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)C(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)C(C)C

InChI

InChI=1S/C16H23NO4S/c1-4-22(19,20)21-15-9-5-13(6-10-15)11-17(14-7-8-14)16(18)12(2)3/h5-6,9-10,12,14H,4,7-8,11H2,1-3H3