2-fluoranyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]benzamide

Systemtic Name: 2-fluoranyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-fluoro-benzamide CAS Name: 2-fluoro-N-[2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-fluorobenzamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-fluoro-benzamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H24FN3O3S/c21-19-9-5-4-8-18(19)20(25)22-10-15-28(26,27)24-13-11-23(12-14-24)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)/p+1