2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-(4-acetamidophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isobutyl-acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-14(2)12-19-18(24)13-21-8-10-22(11-9-21)27(25,26)17-6-4-16(5-7-17)20-15(3)23/h4-7,14H,8-13H2,1-3H3,(H,19,24)(H,20,23)/p+1