[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6S/c1-3-14-13(18)15-11(16)8-21-12(17)9-5-4-6-10(7-9)22(2,19)20/h4-7H,3,8H2,1-2H3,(H2,14,15,16,18)