2-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]ethylazanium

Systemtic Name: 2-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]ethylazanium Openeye Name: 2-[[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfonylacetyl]amino]ethylammonium CAS Name: 2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-1-oxoethyl]amino]ethylammonium IUPAC Name: 2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]amino]ethylazanium Traditional Name: 2-[[2-[2-(4-fluoroanilino)-2-keto-ethyl]sulfonylacetyl]amino]ethylammonium Formula: C12H17FN3O4S+ MolecularWeight: 318.344483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CS(=O)(=O)CC(=O)NCC[NH3+])F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CS(=O)(=O)CC(=O)NCC[NH3+])F

InChI

InChI=1S/C12H16FN3O4S/c13-9-1-3-10(4-2-9)16-12(18)8-21(19,20)7-11(17)15-6-5-14/h1-4H,5-8,14H2,(H,15,17)(H,16,18)/p+1