4-fluoranyl-3-methyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide

Systemtic Name: 4-fluoranyl-3-methyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Openeye Name: 4-fluoro-3-methyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide CAS Name: 4-fluoro-3-methyl-N-[4-(1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 4-fluoro-3-methyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Traditional Name: 4-fluoro-3-methyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Formula: C17H21FN3O2S+ MolecularWeight: 350.430943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CC[NH2+]CC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CC[NH2+]CC3)F

InChI

InChI=1S/C17H20FN3O2S/c1-13-12-16(6-7-17(13)18)24(22,23)20-14-2-4-15(5-3-14)21-10-8-19-9-11-21/h2-7,12,19-20H,8-11H2,1H3/p+1