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

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-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-[(2S)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3S/c1-17(2)7-8-18(3)23-22(26)16-24-11-13-25(14-12-24)29(27,28)21-10-9-19-5-4-6-20(19)15-21/h9-10,15,17-18H,4-8,11-14,16H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1