2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C19H18F3N3O5S2 MolecularWeight: 489.48853

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O5S2/c20-19(21,22)13-6-7-17(16(10-13)25(27)28)31-12-18(26)23-14-4-3-5-15(11-14)32(29,30)24-8-1-2-9-24/h3-7,10-11H,1-2,8-9,12H2,(H,23,26)