3-[[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-ammonio]propane-1-sulfonate CAS Name: 3-[[2-(3-fluoroanilino)-2-oxoethyl]-methylammonio]-1-propanesulfonate IUPAC Name: 3-[[2-(3-fluoroanilino)-2-oxoethyl]-methylazaniumyl]propane-1-sulfonate Traditional Name: 3-[[2-(3-fluoroanilino)-2-keto-ethyl]-methyl-ammonio]propane-1-sulfonate Formula: C12H17FN2O4S MolecularWeight: 304.337783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCS(=O)(=O)[O-])CC(=O)NC1=CC(=CC=C1)F

Isomeric SMILES

C[NH+](CCCS(=O)(=O)[O-])CC(=O)NC1=CC(=CC=C1)F

InChI

InChI=1S/C12H17FN2O4S/c1-15(6-3-7-20(17,18)19)9-12(16)14-11-5-2-4-10(13)8-11/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,16)(H,17,18,19)