4-[4-[2-(4-fluorophenyl)sulfanylethanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[2-(4-fluorophenyl)sulfanylethanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[2-[(4-fluorophenyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-[(4-fluorophenyl)thio]acetyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C18H21FN4O4S2 MolecularWeight: 440.512143

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O4S2/c1-21-11-15(10-16(21)18(20)25)29(26,27)23-8-6-22(7-9-23)17(24)12-28-14-4-2-13(19)3-5-14/h2-5,10-11H,6-9,12H2,1H3,(H2,20,25)