N-(2-cyclopentylpyrazol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-cyclopentyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3S/c26-20(22-19-10-11-21-25(19)17-6-4-5-7-17)16-23-12-14-24(15-13-23)29(27,28)18-8-2-1-3-9-18/h1-3,8-11,17H,4-7,12-16H2,(H,22,26)/p+1