N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-indan-5-yl-acetamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-indan-5-yl-acetamide Formula: C21H25FN3O3S+ MolecularWeight: 418.504903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN3O3S/c22-18-5-8-20(9-6-18)29(27,28)25-12-10-24(11-13-25)15-21(26)23-19-7-4-16-2-1-3-17(16)14-19/h4-9,14H,1-3,10-13,15H2,(H,23,26)/p+1