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

Systemtic Name: [3-[[butan-2-yl(nonanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[nonanoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(nonanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[pelargonyl(sec-butyl)amino]methyl]phenyl] ester Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO4S/c1-5-7-8-9-10-11-15-21(23)22(18(3)6-2)17-19-13-12-14-20(16-19)26-27(4,24)25/h12-14,16,18H,5-11,15,17H2,1-4H3