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

Systemtic Name: N-[(1R,2R)-2-methyl-3-oxidanylidene-1-[4-(trifluoromethyl)phenyl]pentyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-methyl-3-oxo-1-[4-(trifluoromethyl)phenyl]pentyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-2-methyl-3-oxo-1-[4-(trifluoromethyl)phenyl]pentyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-methyl-3-oxo-1-[4-(trifluoromethyl)phenyl]pentyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-3-keto-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]-2-nitro-benzenesulfonamide Formula: C19H19F3N2O5S MolecularWeight: 444.42477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N2O5S/c1-3-16(25)12(2)18(13-8-10-14(11-9-13)19(20,21)22)23-30(28,29)17-7-5-4-6-15(17)24(26)27/h4-12,18,23H,3H2,1-2H3/t12-,18+/m0/s1