4-fluoranyl-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]benzenesulfonamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]-4-fluoro-benzenesulfonamide CAS Name: 4-fluoro-N-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]-4-fluorobenzenesulfonamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]-4-fluoro-benzenesulfonamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCNS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCNS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S/c22-19-8-10-20(11-9-19)29(27,28)23-12-4-7-21(26)25-15-13-24(14-16-25)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,23H,4,7,12-17H2/p+1