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

Systemtic Name: [3-[[furan-2-ylmethyl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-(3,5,5-trimethyl-1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ester Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C23H33NO5S/c1-6-30(26,27)29-20-10-7-9-19(14-20)16-24(17-21-11-8-12-28-21)22(25)13-18(2)15-23(3,4)5/h7-12,14,18H,6,13,15-17H2,1-5H3