N-(2-fluorophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-fluorophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide CAS Name: N-(2-fluorophenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide Formula: C19H23FN3O3S+ MolecularWeight: 392.467623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22FN3O3S/c20-17-8-4-5-9-18(17)21-19(24)14-22-10-12-23(13-11-22)27(25,26)15-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,24)/p+1