sodium 3-(2,4-dichlorophenyl)sulfanyl-4-(trifluoromethylsulfonylamino)benzenesulfonamide

Systemtic Name: sodium 3-(2,4-dichlorophenyl)sulfanyl-4-(trifluoromethylsulfonylamino)benzenesulfonamide Openeye Name: sodium 3-(2,4-dichlorophenyl)sulfanyl-4-(trifluoromethylsulfonylamino)benzenesulfonamide CAS Name: sodium 3-[(2,4-dichlorophenyl)thio]-4-(trifluoromethylsulfonylamino)benzenesulfonamide IUPAC Name: sodium 3-(2,4-dichlorophenyl)sulfanyl-4-(trifluoromethylsulfonylamino)benzenesulfonamide Traditional Name: sodium 3-[(2,4-dichlorophenyl)thio]-4-(triflylamino)benzenesulfonamide Formula: C13H9Cl2F3N2NaO4S3+ MolecularWeight: 504.30754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)SC2=C(C=C(C=C2)Cl)Cl)NS(=O)(=O)C(F)(F)F.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)SC2=C(C=C(C=C2)Cl)Cl)NS(=O)(=O)C(F)(F)F.[Na+]

InChI

InChI=1S/C13H9Cl2F3N2O4S3.Na/c14-7-1-4-11(9(15)5-7)25-12-6-8(26(19,21)22)2-3-10(12)20-27(23,24)13(16,17)18;/h1-6,20H,(H2,19,21,22);/q;+1