N-(3-chloranyl-4-fluoranyl-phenyl)-2-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-fluoro-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C18H19ClF2N3O3S+ MolecularWeight: 430.876566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClF2N3O3S/c1-23-6-8-24(9-7-23)28(26,27)13-3-5-16(20)14(11-13)18(25)22-12-2-4-17(21)15(19)10-12/h2-5,10-11H,6-9H2,1H3,(H,22,25)/p+1