4-[4-[2,6-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[2,6-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(2,6-difluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(2,6-difluorobenzoyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C17H18F2N4O4S MolecularWeight: 412.411026

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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=CC=C3F)F

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C17H18F2N4O4S/c1-21-10-11(9-14(21)16(20)24)28(26,27)23-7-5-22(6-8-23)17(25)15-12(18)3-2-4-13(15)19/h2-4,9-10H,5-8H2,1H3,(H2,20,24)