4-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(3,4-difluorobenzoyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(3,4-difluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(3,4-difluorobenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(3,4-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=CC(=C(C=C3)F)F

Isomeric SMILES

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

InChI

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