N-[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C18H22F3N3O4S MolecularWeight: 433.44519

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCCC1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22F3N3O4S/c1-11(2)16(17(26)23-7-3-4-8-23)22-15(25)10-29-14-6-5-12(18(19,20)21)9-13(14)24(27)28/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3,(H,22,25)/t16-/m0/s1