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

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-[3-(methylthio)phenyl]acetamide Formula: C22H28N3O3S2+ MolecularWeight: 446.60602

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H27N3O3S2/c1-29-20-7-3-6-19(15-20)23-22(26)16-24-10-12-25(13-11-24)30(27,28)21-9-8-17-4-2-5-18(17)14-21/h3,6-9,14-15H,2,4-5,10-13,16H2,1H3,(H,23,26)/p+1