N-(4-fluorophenyl)-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(4-fluorophenyl)-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-4-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-(4-fluorophenyl)-4-[[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(4-fluorophenyl)-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-(4-fluorophenyl)-4-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C22H24FN4O3S2+ MolecularWeight: 475.579363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O3S2/c1-16-24-20(15-31-16)14-26-10-12-27(13-11-26)22(28)17-2-8-21(9-3-17)32(29,30)25-19-6-4-18(23)5-7-19/h2-9,15,25H,10-14H2,1H3/p+1