[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1OS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1OS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H24N2O7S/c1-4-11-22-21(26)23-19(24)13-29-20(25)16-7-5-6-8-17(16)30-31(27,28)18-12-14(2)9-10-15(18)3/h5-10,12H,4,11,13H2,1-3H3,(H2,22,23,24,26)