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

Systemtic Name: [5-[[furan-2-ylmethyl(heptanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl(heptanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl(1-oxoheptyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(heptanoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[enanthyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H29NO6S MolecularWeight: 423.52306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6S/c1-4-5-6-7-10-21(23)22(16-18-9-8-13-27-18)15-17-11-12-19(26-2)20(14-17)28-29(3,24)25/h8-9,11-14H,4-7,10,15-16H2,1-3H3