N-[2-chloranyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-(3-fluoranylphenoxy)ethanamide

Systemtic Name: N-[2-chloranyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-(3-fluoranylphenoxy)ethanamide Openeye Name: N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-(3-fluorophenoxy)acetamide CAS Name: N-[2-chloro-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(3-fluorophenoxy)acetamide IUPAC Name: N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(3-fluorophenoxy)acetamide Traditional Name: N-[2-chloro-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2-(3-fluorophenoxy)acetamide Formula: C19H22ClFN3O4S+ MolecularWeight: 442.912083

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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)COC3=CC(=CC=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC(=CC=C3)F

InChI

InChI=1S/C19H21ClFN3O4S/c1-23-7-9-24(10-8-23)29(26,27)16-5-6-17(20)18(12-16)22-19(25)13-28-15-4-2-3-14(21)11-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)/p+1