[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6S/c1-15(2,3)17-14(20)16-12(18)9-23-13(19)10-6-5-7-11(8-10)24(4,21)22/h5-8H,9H2,1-4H3,(H2,16,17,18,20)