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

Systemtic Name: 2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)carbonylamino]-2-(4-methylsulfonylphenyl)ethanoic acid Openeye Name: 2-[(3-methylsulfonyl-2-oxo-imidazolidine-1-carbonyl)amino]-2-(4-methylsulfonylphenyl)acetic acid CAS Name: 2-[[(3-methylsulfonyl-2-oxo-1-imidazolidinyl)-oxomethyl]amino]-2-(4-methylsulfonylphenyl)acetic acid IUPAC Name: 2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-methylsulfonylphenyl)acetic acid Traditional Name: 2-[(2-keto-3-mesyl-imidazolidine-1-carbonyl)amino]-2-(4-mesylphenyl)acetic acid Formula: C14H17N3O8S2 MolecularWeight: 419.43008

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(C(=O)O)NC(=O)N2CCN(C2=O)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(C(=O)O)NC(=O)N2CCN(C2=O)S(=O)(=O)C

InChI

InChI=1S/C14H17N3O8S2/c1-26(22,23)10-5-3-9(4-6-10)11(12(18)19)15-13(20)16-7-8-17(14(16)21)27(2,24)25/h3-6,11H,7-8H2,1-2H3,(H,15,20)(H,18,19)