phenyl 2-[[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanesulfonate

Systemtic Name: phenyl 2-[[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanesulfonate Openeye Name: phenyl 2-[[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-amino]ethanesulfonate CAS Name: 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]ethanesulfonate Traditional Name: 2-[[2-(3-fluoroanilino)-2-keto-ethyl]-methyl-amino]ethanesulfonic acid phenyl ester Formula: C17H19FN2O4S MolecularWeight: 366.407163

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C17H19FN2O4S/c1-20(13-17(21)19-15-7-5-6-14(18)12-15)10-11-25(22,23)24-16-8-3-2-4-9-16/h2-9,12H,10-11,13H2,1H3,(H,19,21)