3,3,3-tris(fluoranyl)-2-methyl-N-[2-nitro-4-(phenylsulfonyl)phenyl]-2-oxidanyl-propanamide

Systemtic Name: 3,3,3-tris(fluoranyl)-2-methyl-N-[2-nitro-4-(phenylsulfonyl)phenyl]-2-oxidanyl-propanamide Openeye Name: N-[4-(benzenesulfonyl)-2-nitro-phenyl]-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamide CAS Name: N-[4-(benzenesulfonyl)-2-nitrophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide IUPAC Name: N-[4-(benzenesulfonyl)-2-nitrophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide Traditional Name: N-(4-besyl-2-nitro-phenyl)-3,3,3-trifluoro-2-hydroxy-2-methyl-propionamide Formula: C16H13F3N2O6S MolecularWeight: 418.34443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C16H13F3N2O6S/c1-15(23,16(17,18)19)14(22)20-12-8-7-11(9-13(12)21(24)25)28(26,27)10-5-3-2-4-6-10/h2-9,23H,1H3,(H,20,22)