N-(4-fluorophenyl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(4-fluorophenyl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-(4-fluorophenyl)-3-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(4-fluorophenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-(4-fluorophenyl)-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C23H28FN4O4S+ MolecularWeight: 475.556223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H27FN4O4S/c24-19-6-8-20(9-7-19)25-33(31,32)21-5-3-4-18(16-21)23(30)28-14-12-26(13-15-28)17-22(29)27-10-1-2-11-27/h3-9,16,25H,1-2,10-15,17H2/p+1