[4-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[octanoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-oxolanylmethyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[caprylyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CC1CCCO1)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCC(=O)N(CC1CCCO1)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C21H33NO5S/c1-3-4-5-6-7-10-21(23)22(17-20-9-8-15-26-20)16-18-11-13-19(14-12-18)27-28(2,24)25/h11-14,20H,3-10,15-17H2,1-2H3