2-[1,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[3-(benzenesulfonyl)-4-tert-butoxycarbonyl-1,3-dimethyl-2-oxo-piperazin-1-ium-1-yl]acetate CAS Name: 2-[3-(benzenesulfonyl)-1,3-dimethyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[3-(benzenesulfonyl)-1,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-ium-1-yl]acetate Traditional Name: 2-(3-besyl-4-tert-butoxycarbonyl-2-keto-1,3-dimethyl-piperazin-1-ium-1-yl)acetate Formula: C19H26N2O7S MolecularWeight: 426.48394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)[N+](CCN1C(=O)OC(C)(C)C)(C)CC(=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1(C(=O)[N+](CCN1C(=O)OC(C)(C)C)(C)CC(=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H26N2O7S/c1-18(2,3)28-17(25)20-11-12-21(5,13-15(22)23)16(24)19(20,4)29(26,27)14-9-7-6-8-10-14/h6-10H,11-13H2,1-5H3