N-(4-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(4-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-(4-fluorophenyl)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(4-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C18H21FN3O3S+ MolecularWeight: 378.441043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O3S/c1-21-9-11-22(12-10-21)18(23)14-3-2-4-17(13-14)26(24,25)20-16-7-5-15(19)6-8-16/h2-8,13,20H,9-12H2,1H3/p+1