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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(3-chloro-4-methylphenyl)-2-fluoro-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-fluoro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C19H22ClFN3O3S+ MolecularWeight: 426.912683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)F)Cl

InChI

InChI=1S/C19H21ClFN3O3S/c1-13-3-4-14(11-17(13)20)22-19(25)16-12-15(5-6-18(16)21)28(26,27)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)/p+1