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

Systemtic Name: N-(2-methylpropylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(isobutylcarbamoyl)acetamide Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4S/c1-14(2)12-18-17(23)19-16(22)13-20-8-10-21(11-9-20)26(24,25)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H2,18,19,22,23)/p+1