4-[(3-fluoranyl-4-methyl-phenyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(3-fluoranyl-4-methyl-phenyl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-(3-fluoro-4-methyl-anilino)-3-nitro-benzenesulfonamide CAS Name: 4-(3-fluoro-4-methylanilino)-3-nitrobenzenesulfonamide IUPAC Name: 4-(3-fluoro-4-methylanilino)-3-nitrobenzenesulfonamide Traditional Name: 4-(3-fluoro-4-methyl-anilino)-3-nitro-benzenesulfonamide Formula: C13H12FN3O4S MolecularWeight: 325.315483

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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)N)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

InChI=1S/C13H12FN3O4S/c1-8-2-3-9(6-11(8)14)16-12-5-4-10(22(15,20)21)7-13(12)17(18)19/h2-7,16H,1H3,(H2,15,20,21)