[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C14H18N2O6S/c1-9(2)15-14(19)16-12(17)8-22-13(18)10-5-4-6-11(7-10)23(3,20)21/h4-7,9H,8H2,1-3H3,(H2,15,16,17,19)