N-(3-methylbutylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(isoamylcarbamoyl)acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-15(2)8-9-19-18(24)20-17(23)14-21-10-12-22(13-11-21)27(25,26)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H2,19,20,23,24)/p+1