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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H29N5O3S/c27-21(23-20-10-11-22-26(20)19-8-4-5-9-19)16-24-12-14-25(15-13-24)30(28,29)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,19H,4-5,8-9,12-17H2,(H,23,27)/p+1