N-[3-[(4-chloranyl-3-nitro-phenyl)amino]quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[3-[(4-chloranyl-3-nitro-phenyl)amino]quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[3-(4-chloro-3-nitro-anilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: N-[3-(4-chloro-3-nitroanilino)-2-quinoxalinyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[3-(4-chloro-3-nitro-anilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide Formula: C21H13ClF3N5O4S MolecularWeight: 523.87223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClF3N5O4S/c22-14-10-9-12(11-17(14)30(31)32)26-19-20(28-16-7-3-2-6-15(16)27-19)29-35(33,34)18-8-4-1-5-13(18)21(23,24)25/h1-11H,(H,26,27)(H,28,29)