3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2,3,4-tris(fluoranyl)phenyl]benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2,3,4-tris(fluoranyl)phenyl]benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2,3,4-trifluorophenyl)benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(2,3,4-trifluorophenyl)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2,3,4-trifluorophenyl)benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2,3,4-trifluorophenyl)benzamide Formula: C18H19F3N3O3S+ MolecularWeight: 414.42197

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C18H18F3N3O3S/c1-23-7-9-24(10-8-23)28(26,27)13-4-2-3-12(11-13)18(25)22-15-6-5-14(19)16(20)17(15)21/h2-6,11H,7-10H2,1H3,(H,22,25)/p+1