[4-chloranyl-2-[[furan-2-ylmethyl(2-methoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[furan-2-ylmethyl(2-methoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[2-furylmethyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-furanylmethyl-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[furan-2-ylmethyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-furfuryl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C21H19ClFNO6S MolecularWeight: 467.895063

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COCC(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19ClFNO6S/c1-28-14-21(25)24(13-18-3-2-10-29-18)12-15-11-16(22)4-9-20(15)30-31(26,27)19-7-5-17(23)6-8-19/h2-11H,12-14H2,1H3