N1-[1-(4-fluorophenyl)ethyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1-[1-(4-fluorophenyl)ethyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-[1-(4-fluorophenyl)ethyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-[1-(4-fluorophenyl)ethyl]-N4,N4-dimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-[1-(4-fluorophenyl)ethyl]-4-N,4-N-dimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-N',N'-dimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C16H18FN3O6S2 MolecularWeight: 431.459023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18FN3O6S2/c1-11(12-4-6-13(17)7-5-12)18-27(23,24)16-9-8-14(10-15(16)20(21)22)28(25,26)19(2)3/h4-11,18H,1-3H3