N-[(2S)-6-methylheptan-2-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzamide Formula: C22H25F3N2O3S MolecularWeight: 454.50571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H25F3N2O3S/c1-14(2)7-6-8-15(3)26-21(28)17-9-4-5-10-19(17)31-20-12-11-16(22(23,24)25)13-18(20)27(29)30/h4-5,9-15H,6-8H2,1-3H3,(H,26,28)/t15-/m0/s1