N-[(1R,2R)-2-methyl-3-oxidanylidene-1-[4-(trifluoromethyl)phenyl]butyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-2-methyl-3-oxidanylidene-1-[4-(trifluoromethyl)phenyl]butyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-methyl-3-oxo-1-[4-(trifluoromethyl)phenyl]butyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-2-methyl-3-oxo-1-[4-(trifluoromethyl)phenyl]butyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-methyl-3-oxo-1-[4-(trifluoromethyl)phenyl]butyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-3-keto-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]-2-nitro-benzenesulfonamide Formula: C18H17F3N2O5S MolecularWeight: 430.39819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]([C@H](C1=CC=C(C=C1)C(F)(F)F)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C18H17F3N2O5S/c1-11(12(2)24)17(13-7-9-14(10-8-13)18(19,20)21)22-29(27,28)16-6-4-3-5-15(16)23(25)26/h3-11,17,22H,1-2H3/t11-,17+/m0/s1