3-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)propanamide

Systemtic Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)propanamide Openeye Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)propanamide CAS Name: 3-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-fluorophenyl)propanamide IUPAC Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)propanamide Traditional Name: 3-(4-brosylpiperazin-1-ium-1-yl)-N-(4-fluorophenyl)propionamide Formula: C19H22BrFN3O3S+ MolecularWeight: 471.363683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrFN3O3S/c20-15-1-7-18(8-2-15)28(26,27)24-13-11-23(12-14-24)10-9-19(25)22-17-5-3-16(21)4-6-17/h1-8H,9-14H2,(H,22,25)/p+1