4-bromanyl-N-[4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butyl]benzenesulfonamide Openeye Name: 4-bromo-N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]benzenesulfonamide CAS Name: 4-bromo-N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]benzenesulfonamide Traditional Name: 4-bromo-N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]benzenesulfonamide Formula: C17H17BrF3N3O4S MolecularWeight: 496.29879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NCCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NCCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br

InChI

InChI=1S/C17H17BrF3N3O4S/c18-13-4-6-14(7-5-13)29(27,28)23-10-2-1-9-22-15-8-3-12(17(19,20)21)11-16(15)24(25)26/h3-8,11,22-23H,1-2,9-10H2