5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]sulfonyl-3-thenoic acid Formula: C16H14F3N3O6S2 MolecularWeight: 465.42407

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C16H14F3N3O6S2/c17-16(18,19)11-1-2-12(13(8-11)22(25)26)20-3-5-21(6-4-20)30(27,28)14-7-10(9-29-14)15(23)24/h1-2,7-9H,3-6H2,(H,23,24)