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

Systemtic Name: N-[2-chloranyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3,5-bis(fluoranyl)benzamide Openeye Name: N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3,5-difluoro-benzamide CAS Name: N-[2-chloro-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3,5-difluorobenzamide IUPAC Name: N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3,5-difluorobenzamide Traditional Name: N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3,5-difluoro-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)Cl)NC(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

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

InChI

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