4-chloranyl-2-[(4-oxidanyl-4-oxidanylidene-butyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-2-[(4-oxidanyl-4-oxidanylidene-butyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-[(4-hydroxy-4-oxo-butyl)amino]-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-2-[(4-hydroxy-4-oxobutyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-[(4-hydroxy-4-oxobutyl)amino]-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-[(4-hydroxy-4-keto-butyl)amino]-5-sulfamoyl-benzoic acid Formula: C11H13ClN2O6S MolecularWeight: 336.74872

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)N)Cl)NCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)N)Cl)NCCCC(=O)O)C(=O)O

InChI

InChI=1S/C11H13ClN2O6S/c12-7-5-8(14-3-1-2-10(15)16)6(11(17)18)4-9(7)21(13,19)20/h4-5,14H,1-3H2,(H,15,16)(H,17,18)(H2,13,19,20)