[3-[[furan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl(mesitylsulfonyl)amino]methyl]phenyl] ester Formula: C23H27NO6S2 MolecularWeight: 477.59358

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C23H27NO6S2/c1-5-31(25,26)30-21-9-6-8-20(14-21)15-24(16-22-10-7-11-29-22)32(27,28)23-18(3)12-17(2)13-19(23)4/h6-14H,5,15-16H2,1-4H3