3-tert-butyl-6-methyl-4-(3-nitrophenyl)sulfonyl-N-[4-nitro-2-(trifluoromethyl)phenyl]-2-oxidanyl-benzamide

Systemtic Name: 3-tert-butyl-6-methyl-4-(3-nitrophenyl)sulfonyl-N-[4-nitro-2-(trifluoromethyl)phenyl]-2-oxidanyl-benzamide Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-4-(3-nitrophenyl)sulfonyl-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-4-(3-nitrophenyl)sulfonyl-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-4-(3-nitrophenyl)sulfonyl-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-4-(3-nitrophenyl)sulfonyl-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide Formula: C25H22F3N3O8S MolecularWeight: 581.51769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)O)C(C)(C)C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)O)C(C)(C)C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22F3N3O8S/c1-13-10-19(40(38,39)16-7-5-6-14(11-16)30(34)35)21(24(2,3)4)22(32)20(13)23(33)29-18-9-8-15(31(36)37)12-17(18)25(26,27)28/h5-12,32H,1-4H3,(H,29,33)