N1-[(3-fluorophenyl)methyl]-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1-[(3-fluorophenyl)methyl]-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-[(3-fluorophenyl)methyl]-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-[(3-fluorophenyl)methyl]-N1,N4,N4-trimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-[(3-fluorophenyl)methyl]-1-N,4-N,4-N-trimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-(3-fluorobenzyl)-N,N',N'-trimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C16H18FN3O6S2 MolecularWeight: 431.459023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC2=CC(=CC=C2)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC2=CC(=CC=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18FN3O6S2/c1-18(2)27(23,24)14-7-8-16(15(10-14)20(21)22)28(25,26)19(3)11-12-5-4-6-13(17)9-12/h4-10H,11H2,1-3H3