[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H17ClN2O6S MolecularWeight: 376.81258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O6S/c1-8(2)16-14(20)17-12(18)7-23-13(19)10-6-9(24(3,21)22)4-5-11(10)15/h4-6,8H,7H2,1-3H3,(H2,16,17,18,20)