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

Systemtic Name: [4-[[3-methoxypropyl(nonanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-methoxypropyl(nonanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methoxypropyl(nonanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-methoxypropyl(pelargonyl)amino]methyl]phenyl] ester Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO5S/c1-4-5-6-7-8-9-11-21(23)22(16-10-17-26-2)18-19-12-14-20(15-13-19)27-28(3,24)25/h12-15H,4-11,16-18H2,1-3H3