N1-(2-fluoranyl-5-methylsulfonyl-phenyl)-N4,N4-dimethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-(2-fluoranyl-5-methylsulfonyl-phenyl)-N4,N4-dimethyl-benzene-1,4-disulfonamide Openeye Name: N1-(2-fluoro-5-methylsulfonyl-phenyl)-N4,N4-dimethyl-benzene-1,4-disulfonamide CAS Name: N1-(2-fluoro-5-methylsulfonylphenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-(2-fluoro-5-methylsulfonylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide Traditional Name: N-(2-fluoro-5-mesyl-phenyl)-N',N'-dimethyl-benzene-1,4-disulfonamide Formula: C15H17FN2O6S3 MolecularWeight: 436.498683

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)F

InChI

InChI=1S/C15H17FN2O6S3/c1-18(2)27(23,24)12-6-4-11(5-7-12)26(21,22)17-15-10-13(25(3,19)20)8-9-14(15)16/h4-10,17H,1-3H3