N-cyclohexyl-4-fluoranyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: N-cyclohexyl-4-fluoranyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-cyclohexyl-4-fluoro-benzenesulfonamide CAS Name: N-cyclohexyl-4-fluoro-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-cyclohexyl-4-fluorobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-cyclohexyl-4-fluoro-benzenesulfonamide Formula: C25H33FN3O3S+ MolecularWeight: 474.611223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H32FN3O3S/c26-22-11-13-24(14-12-22)33(31,32)29(23-9-5-2-6-10-23)20-25(30)28-17-15-27(16-18-28)19-21-7-3-1-4-8-21/h1,3-4,7-8,11-14,23H,2,5-6,9-10,15-20H2/p+1