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

Systemtic Name: [5-[[2-ethylhexanoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-ethylhexanoyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[(2-ethyl-1-oxohexyl)-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[2-ethylhexanoyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-ethylhexanoyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H31NO6S MolecularWeight: 437.54964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO6S/c1-5-7-9-18(6-2)22(24)23(16-19-10-8-13-28-19)15-17-11-12-20(27-3)21(14-17)29-30(4,25)26/h8,10-14,18H,5-7,9,15-16H2,1-4H3