2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)carbonylamino]-2-(4-nitrophenyl)ethanoic acid

Systemtic Name: 2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)carbonylamino]-2-(4-nitrophenyl)ethanoic acid Openeye Name: 2-[(3-methylsulfonyl-2-oxo-imidazolidine-1-carbonyl)amino]-2-(4-nitrophenyl)acetic acid CAS Name: 2-[[(3-methylsulfonyl-2-oxo-1-imidazolidinyl)-oxomethyl]amino]-2-(4-nitrophenyl)acetic acid IUPAC Name: 2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-nitrophenyl)acetic acid Traditional Name: 2-[(2-keto-3-mesyl-imidazolidine-1-carbonyl)amino]-2-(4-nitrophenyl)acetic acid Formula: C13H14N4O8S MolecularWeight: 386.33726

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C1=O)C(=O)NC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(C1=O)C(=O)NC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H14N4O8S/c1-26(24,25)16-7-6-15(13(16)21)12(20)14-10(11(18)19)8-2-4-9(5-3-8)17(22)23/h2-5,10H,6-7H2,1H3,(H,14,20)(H,18,19)