N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-acetamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S/c1-19(2,3)20-17(24)14-21(4)18(25)15-22-10-12-23(13-11-22)28(26,27)16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3,(H,20,24)/p+1