N-(4-chloranyl-2-fluoranyl-phenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C17H20ClFN3O3S2+ MolecularWeight: 432.940403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=C(C=C2)Cl)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=C(C=C2)Cl)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19ClFN3O3S2/c18-13-3-4-15(14(19)12-13)20-16(23)5-6-21-7-9-22(10-8-21)27(24,25)17-2-1-11-26-17/h1-4,11-12H,5-10H2,(H,20,23)/p+1