2,6-bis(fluoranyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide

Systemtic Name: 2,6-bis(fluoranyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Openeye Name: 2,6-difluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide CAS Name: 2,6-difluoro-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]benzamide IUPAC Name: 2,6-difluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Traditional Name: 2,6-difluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Formula: C18H20F2N3O3S+ MolecularWeight: 396.431506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C18H19F2N3O3S/c1-22-9-11-23(12-10-22)27(25,26)14-7-5-13(6-8-14)21-18(24)17-15(19)3-2-4-16(17)20/h2-8H,9-12H2,1H3,(H,21,24)/p+1