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

Systemtic Name: [4-[[2-methylpropyl(propanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl(propanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl(1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(propanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyl(propionyl)amino]methyl]phenyl] ester Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4S/c1-5-16(18)17(11-13(3)4)12-14-7-9-15(10-8-14)21-22(19,20)6-2/h7-10,13H,5-6,11-12H2,1-4H3