[4-[[3-methylbutyl(nonanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl(nonanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl(nonanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl(nonanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(pelargonyl)amino]methyl]phenyl] ester Formula: C22H37NO4S MolecularWeight: 411.59848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO4S/c1-5-6-7-8-9-10-11-22(24)23(17-16-19(2)3)18-20-12-14-21(15-13-20)27-28(4,25)26/h12-15,19H,5-11,16-18H2,1-4H3