2-[(3-methylsulfonyl-2-oxidanylidene-1,3-diazinan-1-yl)carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(3-methylsulfonyl-2-oxidanylidene-1,3-diazinan-1-yl)carbonylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[(3-methylsulfonyl-2-oxo-hexahydropyrimidine-1-carbonyl)amino]-2-phenyl-acetic acid CAS Name: 2-[[(3-methylsulfonyl-2-oxo-1,3-diazinan-1-yl)-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[(3-methylsulfonyl-2-oxo-1,3-diazinane-1-carbonyl)amino]-2-phenylacetic acid Traditional Name: 2-[(2-keto-3-mesyl-hexahydropyrimidine-1-carbonyl)amino]-2-phenyl-acetic acid Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCCN(C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H17N3O6S/c1-24(22,23)17-9-5-8-16(14(17)21)13(20)15-11(12(18)19)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,15,20)(H,18,19)