N-(2-cyclopentylpyrazol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H30N5O3S+ MolecularWeight: 432.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=NN3C4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=NN3C4CCCC4

InChI

InChI=1S/C21H29N5O3S/c1-17-6-8-19(9-7-17)30(28,29)25-14-12-24(13-15-25)16-21(27)23-20-10-11-22-26(20)18-4-2-3-5-18/h6-11,18H,2-5,12-16H2,1H3,(H,23,27)/p+1