[4-chloranyl-2-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-chloranyl-2-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[isopropyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[(2-methyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[isobutyryl(isopropyl)amino]methyl]phenyl] ester Formula: C16H24ClNO4S MolecularWeight: 361.88406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(C(C)C)C(=O)C(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(C(C)C)C(=O)C(C)C

InChI

InChI=1S/C16H24ClNO4S/c1-6-23(20,21)22-15-8-7-14(17)9-13(15)10-18(12(4)5)16(19)11(2)3/h7-9,11-12H,6,10H2,1-5H3