phenyl 2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]ethanesulfonate

Systemtic Name: phenyl 2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]ethanesulfonate Openeye Name: phenyl 2-[[2-(2-furylmethylamino)-2-oxo-ethyl]-methyl-amino]ethanesulfonate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]-methylamino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]ethanesulfonate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]-methyl-amino]ethanesulfonic acid phenyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)NCC2=CC=CO2

Isomeric SMILES

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)NCC2=CC=CO2

InChI

InChI=1S/C16H20N2O5S/c1-18(13-16(19)17-12-15-8-5-10-22-15)9-11-24(20,21)23-14-6-3-2-4-7-14/h2-8,10H,9,11-13H2,1H3,(H,17,19)