N-[4-(4-pentan-3-ylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: N-[4-(4-pentan-3-ylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(1-ethylpropyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[(4-pentan-3-yl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: N-[4-(4-pentan-3-ylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(1-ethylpropyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S/c1-4-16(5-2)19-10-12-20(13-11-19)24(22,23)17-8-6-15(7-9-17)18-14(3)21/h6-9,16H,4-5,10-13H2,1-3H3,(H,18,21)/p+1