N-(1-cyanocyclopentyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C21H30N4O3S/c1-17(2)18-5-7-19(8-6-18)29(27,28)25-13-11-24(12-14-25)15-20(26)23-21(16-22)9-3-4-10-21/h5-8,17H,3-4,9-15H2,1-2H3,(H,23,26)/p+1