4-oxidanylidene-3-[[4-[[(4-oxidanylidene-2,3-dihydrochromen-6-yl)sulfonylamino]methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[[4-[[(4-oxidanylidene-2,3-dihydrochromen-6-yl)sulfonylamino]methyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-oxo-3-[[4-[[(4-oxochroman-6-yl)sulfonylamino]methyl]benzoyl]amino]butanoic acid CAS Name: 4-oxo-3-[[oxo-[4-[[(4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonylamino]methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: 4-oxo-3-[[4-[[(4-oxo-2,3-dihydrochromen-6-yl)sulfonylamino]methyl]benzoyl]amino]butanoic acid Traditional Name: 4-keto-3-[[4-[[(4-ketochroman-6-yl)sulfonylamino]methyl]benzoyl]amino]butyric acid Formula: C21H20N2O8S MolecularWeight: 460.4571

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1=O)C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1COC2=C(C1=O)C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C21H20N2O8S/c24-12-15(9-20(26)27)23-21(28)14-3-1-13(2-4-14)11-22-32(29,30)16-5-6-19-17(10-16)18(25)7-8-31-19/h1-6,10,12,15,22H,7-9,11H2,(H,23,28)(H,26,27)