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

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)ethanamide Openeye Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(methylcarbamoyl)acetamide CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide Traditional Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(methylcarbamoyl)acetamide Formula: C17H25N4O4S+ MolecularWeight: 381.4698

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C17H24N4O4S/c1-18-17(23)19-16(22)12-20-7-9-21(10-8-20)26(24,25)15-6-5-13-3-2-4-14(13)11-15/h5-6,11H,2-4,7-10,12H2,1H3,(H2,18,19,22,23)/p+1