2-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(3-chloro-2-fluoro-anilino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(3-chloro-2-fluoroanilino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(3-chloro-2-fluoroanilino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(3-chloro-2-fluoro-anilino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C16H19ClFN4O4S+ MolecularWeight: 417.862863

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C(=CC=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C(=CC=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClFN4O4S/c1-21(2)9-8-19-27(25,26)11-6-7-13(15(10-11)22(23)24)20-14-5-3-4-12(17)16(14)18/h3-7,10,19-20H,8-9H2,1-2H3/p+1