5-[[6-[carboxymethyl(2-oxidanylidenepropyl)amino]-6-oxidanylidene-5-phenyl-hexyl]sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[6-[carboxymethyl(2-oxidanylidenepropyl)amino]-6-oxidanylidene-5-phenyl-hexyl]sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[6-[acetonyl(carboxymethyl)amino]-6-oxo-5-phenyl-hexyl]sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[[6-[carboxymethyl(2-oxopropyl)amino]-6-oxo-5-phenylhexyl]sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[6-[carboxymethyl(2-oxopropyl)amino]-6-oxo-5-phenylhexyl]sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[[6-[acetonyl(carboxymethyl)amino]-6-keto-5-phenyl-hexyl]sulfamoyl]-2-hydroxy-benzoic acid Formula: C24H28N2O9S MolecularWeight: 520.55212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN(CC(=O)O)C(=O)C(CCCCNS(=O)(=O)C1=CC(=C(C=C1)O)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CN(CC(=O)O)C(=O)C(CCCCNS(=O)(=O)C1=CC(=C(C=C1)O)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C24H28N2O9S/c1-16(27)14-26(15-22(29)30)23(31)19(17-7-3-2-4-8-17)9-5-6-12-25-36(34,35)18-10-11-21(28)20(13-18)24(32)33/h2-4,7-8,10-11,13,19,25,28H,5-6,9,12,14-15H2,1H3,(H,29,30)(H,32,33)