1-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C17H18F3N5O5S MolecularWeight: 461.41553

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N5O5S/c1-22-10-12(9-15(22)16(21)26)31(29,30)24-6-4-23(5-7-24)13-3-2-11(17(18,19)20)8-14(13)25(27)28/h2-3,8-10H,4-7H2,1H3,(H2,21,26)