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

Systemtic Name: [4-[[butan-2-yl(nonanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[nonanoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butan-2-yl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(nonanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[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=C(C=C1)OS(=O)(=O)C)C(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO4S/c1-5-7-8-9-10-11-12-21(23)22(18(3)6-2)17-19-13-15-20(16-14-19)26-27(4,24)25/h13-16,18H,5-12,17H2,1-4H3