[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C18H17ClN2O6S MolecularWeight: 424.85538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C18H17ClN2O6S/c1-2-17(23)21-13-6-3-11(4-7-13)15(22)10-27-18(24)12-5-8-14(19)16(9-12)28(20,25)26/h3-9H,2,10H2,1H3,(H,21,23)(H2,20,25,26)