N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H24BrFN3O3S+ MolecularWeight: 497.400963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H23BrFN3O3S/c22-17-5-7-20(19(23)13-17)24-21(27)14-25-8-10-26(11-9-25)30(28,29)18-6-4-15-2-1-3-16(15)12-18/h4-7,12-13H,1-3,8-11,14H2,(H,24,27)/p+1