[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC=C

InChI

InChI=1S/C21H23N3O6S/c1-4-11-22-21(27)23-19(25)13-30-20(26)16-7-9-17(10-8-16)24-31(28,29)18-12-14(2)5-6-15(18)3/h4-10,12,24H,1,11,13H2,2-3H3,(H2,22,23,25,27)