[5-[[furan-2-ylmethyl(3,5,5-trimethylhexanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl(3,5,5-trimethylhexanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl(3,5,5-trimethylhexanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-(3,5,5-trimethyl-1-oxohexyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(3,5,5-trimethylhexanoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-furfuryl(3,5,5-trimethylhexanoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H33NO6S MolecularWeight: 451.57622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO6S/c1-17(14-23(2,3)4)12-22(25)24(16-19-8-7-11-29-19)15-18-9-10-20(28-5)21(13-18)30-31(6,26)27/h7-11,13,17H,12,14-16H2,1-6H3