[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H14ClN3O6S MolecularWeight: 375.78476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O6S/c1-2-5-16-13(20)17-11(18)7-23-12(19)8-3-4-9(14)10(6-8)24(15,21)22/h2-4,6H,1,5,7H2,(H2,15,21,22)(H2,16,17,18,20)