phenyl 2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanesulfonate

Systemtic Name: phenyl 2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanesulfonate Openeye Name: phenyl 2-[[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-amino]ethanesulfonate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]ethanesulfonate Traditional Name: 2-[[2-(4-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=C(C=C2)F

Isomeric SMILES

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

InChI

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