1-methyl-4-[4-[4-(trifluoromethylsulfanyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[4-(trifluoromethylsulfanyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[4-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[oxo-[4-(trifluoromethylthio)phenyl]methyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[4-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[4-(trifluoromethylthio)benzoyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C18H19F3N4O4S2 MolecularWeight: 476.49307

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C18H19F3N4O4S2/c1-23-11-14(10-15(23)16(22)26)31(28,29)25-8-6-24(7-9-25)17(27)12-2-4-13(5-3-12)30-18(19,20)21/h2-5,10-11H,6-9H2,1H3,(H2,22,26)