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

Systemtic Name: 2-[[4-[(3-fluoranyl-4-methyl-phenyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(3-fluoro-4-methyl-anilino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(3-fluoro-4-methylanilino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(3-fluoro-4-methylanilino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(3-fluoro-4-methyl-anilino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C17H22FN4O4S+ MolecularWeight: 397.444383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-])F

InChI

InChI=1S/C17H21FN4O4S/c1-12-4-5-13(10-15(12)18)20-16-7-6-14(11-17(16)22(23)24)27(25,26)19-8-9-21(2)3/h4-7,10-11,19-20H,8-9H2,1-3H3/p+1