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

Systemtic Name: [4-chloranyl-2-[[furan-2-ylmethyl(2-methoxyethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[2-furylmethyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[2-furfuryl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C17H20ClNO6S MolecularWeight: 401.8618

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(CC2=CC=CO2)C(=O)COC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(CC2=CC=CO2)C(=O)COC

InChI

InChI=1S/C17H20ClNO6S/c1-3-26(21,22)25-16-7-6-14(18)9-13(16)10-19(17(20)12-23-2)11-15-5-4-8-24-15/h4-9H,3,10-12H2,1-2H3