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

Systemtic Name: [4-[[furan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[2-furylmethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-furanylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=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)30-21-10-8-20(9-11-21)15-24(16-22-7-6-12-29-22)32(27,28)23-18(3)13-17(2)14-19(23)4/h6-14H,5,15-16H2,1-4H3