[3-[[furan-2-ylmethyl(heptanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(heptanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-furylmethyl(heptanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl(1-oxoheptyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(heptanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[enanthyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C)CC2=CC=CO2

Isomeric SMILES

CCCCCCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C)CC2=CC=CO2

InChI

InChI=1S/C20H27NO5S/c1-3-4-5-6-12-20(22)21(16-19-11-8-13-25-19)15-17-9-7-10-18(14-17)26-27(2,23)24/h7-11,13-14H,3-6,12,15-16H2,1-2H3