[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H16ClN3O6S MolecularWeight: 377.80064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O6S/c1-7(2)16-13(20)17-11(18)6-23-12(19)8-3-4-9(14)10(5-8)24(15,21)22/h3-5,7H,6H2,1-2H3,(H2,15,21,22)(H2,16,17,18,20)