N-(3,4-dichlorophenyl)-4-fluoranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3,4-dichlorophenyl)-4-fluoranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(3,4-dichlorophenyl)-4-fluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(3,4-dichlorophenyl)-4-fluoro-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(3,4-dichlorophenyl)-4-fluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(3,4-dichlorophenyl)-4-fluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C18H19Cl2FN3O3S+ MolecularWeight: 447.331163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2FN3O3S/c1-23-6-8-24(9-7-23)28(26,27)17-10-12(2-5-16(17)21)18(25)22-13-3-4-14(19)15(20)11-13/h2-5,10-11H,6-9H2,1H3,(H,22,25)/p+1