[4-[[butyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl(isobutyryl)amino]methyl]phenyl] ester Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C(C)C

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C(C)C

InChI

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