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

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H27FN5O3S+ MolecularWeight: 436.523483

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN5O3S/c21-16-5-7-18(8-6-16)30(28,29)25-13-11-24(12-14-25)15-20(27)23-19-9-10-22-26(19)17-3-1-2-4-17/h5-10,17H,1-4,11-15H2,(H,23,27)/p+1