N-(4-chloranyl-2-fluoranyl-phenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C19H21ClF2N3O3S+ MolecularWeight: 444.903146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=C(C=C2)Cl)F)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=C(C=C2)Cl)F)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H20ClF2N3O3S/c20-14-5-6-17(16(22)13-14)23-19(26)7-8-24-9-11-25(12-10-24)29(27,28)18-4-2-1-3-15(18)21/h1-6,13H,7-12H2,(H,23,26)/p+1