N3-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[2-(ethylamino)-5-(trifluoromethylsulfonyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[2-(ethylamino)-5-triflyl-phenyl]benzene-1,3-disulfonamide Formula: C15H16F3N3O6S3 MolecularWeight: 487.49425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N

InChI

InChI=1S/C15H16F3N3O6S3/c1-2-20-13-7-6-10(28(22,23)15(16,17)18)9-14(13)21-30(26,27)12-5-3-4-11(8-12)29(19,24)25/h3-9,20-21H,2H2,1H3,(H2,19,24,25)