5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-N-(4-methylphenyl)sulfonyl-2-nitro-benzamide

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-N-(4-methylphenyl)sulfonyl-2-nitro-benzamide Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-(p-tolylsulfonyl)benzamide CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(4-methylphenyl)sulfonyl-2-nitrobenzamide IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(4-methylphenyl)sulfonyl-2-nitrobenzamide Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-tosyl-benzamide Formula: C21H14ClF3N2O6S MolecularWeight: 514.85887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClF3N2O6S/c1-12-2-6-15(7-3-12)34(31,32)26-20(28)16-11-14(5-8-18(16)27(29)30)33-19-9-4-13(10-17(19)22)21(23,24)25/h2-11H,1H3,(H,26,28)