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

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamide Openeye Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide Traditional Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C20H27N5O3S/c1-14-20(15(2)23-22-14)21-19(26)13-24-8-10-25(11-9-24)29(27,28)18-7-6-16-4-3-5-17(16)12-18/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,21,26)(H,22,23)/p+1