[3-[[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl(p-tolylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl(tosyl)amino]methyl]phenyl] ester Formula: C21H23NO6S2 MolecularWeight: 449.54042

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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=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S2/c1-3-29(23,24)28-19-7-4-6-18(14-19)15-22(16-20-8-5-13-27-20)30(25,26)21-11-9-17(2)10-12-21/h4-14H,3,15-16H2,1-2H3