4-(4-bromophenyl)sulfanyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-[(4-bromophenyl)thio]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-[(4-bromophenyl)thio]-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C19H12BrF3N2O4S2 MolecularWeight: 533.33879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrF3N2O4S2/c20-13-4-6-15(7-5-13)30-18-9-8-16(11-17(18)25(26)27)31(28,29)24-14-3-1-2-12(10-14)19(21,22)23/h1-11,24H