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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC(C)C

InChI

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