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

Systemtic Name: [3-[[butan-2-yl(octanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[octanoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(octanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[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(=CC=C1)OS(=O)(=O)C)C(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4S/c1-5-7-8-9-10-14-20(22)21(17(3)6-2)16-18-12-11-13-19(15-18)25-26(4,23)24/h11-13,15,17H,5-10,14,16H2,1-4H3