N-[2-(4-chloranyl-2-nitro-phenyl)sulfanylphenyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-(4-chloranyl-2-nitro-phenyl)sulfanylphenyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-(4-chloro-2-nitro-phenyl)sulfanylphenyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-[(4-chloro-2-nitrophenyl)thio]phenyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-(4-chloro-2-nitrophenyl)sulfanylphenyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-[(4-chloro-2-nitro-phenyl)thio]phenyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C19H12ClF3N2O4S2 MolecularWeight: 488.88779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)SC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)SC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H12ClF3N2O4S2/c20-13-8-9-18(16(11-13)25(26)27)30-17-7-2-1-6-15(17)24-31(28,29)14-5-3-4-12(10-14)19(21,22)23/h1-11,24H