[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC(=O)N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C12H14N2O6S/c1-7(10(15)14-12(13)17)20-11(16)8-4-3-5-9(6-8)21(2,18)19/h3-7H,1-2H3,(H3,13,14,15,17)