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

Systemtic Name: [3-[[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-fluorophenyl)sulfonyl-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(4-fluorophenyl)sulfonyl-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-fluorophenyl)sulfonyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H20FNO6S2 MolecularWeight: 453.504303

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H20FNO6S2/c1-2-29(23,24)28-18-6-3-5-16(13-18)14-22(15-19-7-4-12-27-19)30(25,26)20-10-8-17(21)9-11-20/h3-13H,2,14-15H2,1H3