[4-[[butan-2-yl(octanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butan-2-yl(octanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[octanoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butan-2-yl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(octanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[caprylyl(sec-butyl)amino]methyl]phenyl] ester Formula: C20H33NO4S MolecularWeight: 383.54532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4S/c1-5-7-8-9-10-11-20(22)21(17(3)6-2)16-18-12-14-19(15-13-18)25-26(4,23)24/h12-15,17H,5-11,16H2,1-4H3