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

Systemtic Name: 4-[4-(4-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(4-bromo-2-fluoro-benzoyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(4-bromo-2-fluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(4-bromo-2-fluorobenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(4-bromo-2-fluoro-benzoyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C17H18BrFN4O4S MolecularWeight: 473.316623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrFN4O4S/c1-21-10-12(9-15(21)16(20)24)28(26,27)23-6-4-22(5-7-23)17(25)13-3-2-11(18)8-14(13)19/h2-3,8-10H,4-7H2,1H3,(H2,20,24)