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

Systemtic Name: [4-[[butanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[butanoyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[1-oxobutyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[butyryl(isopropyl)amino]methyl]phenyl] ester Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4S/c1-5-7-16(18)17(13(3)4)12-14-8-10-15(11-9-14)21-22(19,20)6-2/h8-11,13H,5-7,12H2,1-4H3