[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-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=C(C=C1)S(=O)(=O)C

Isomeric SMILES

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

InChI

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