2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-ylacetamide Traditional Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide Formula: C17H27ClN3O3S+ MolecularWeight: 388.93258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(CC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H26ClN3O3S/c1-3-15(4-2)19-17(22)13-20-9-11-21(12-10-20)25(23,24)16-7-5-14(18)6-8-16/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,22)/p+1