2-[[4-oxidanyl-4-oxidanylidene-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[4-oxidanyl-4-oxidanylidene-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoyl]amino]butanedioic acid Openeye Name: 2-[[4-hydroxy-4-oxo-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoyl]amino]butanedioic acid CAS Name: 2-[[4-hydroxy-1,4-dioxo-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]butyl]amino]butanedioic acid IUPAC Name: 2-[[4-hydroxy-4-oxo-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]butanoyl]amino]butanedioic acid Traditional Name: 2-[[4-hydroxy-4-keto-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]butanoyl]amino]succinic acid Formula: C16H20N4O9S2 MolecularWeight: 476.4814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H20N4O9S2/c17-31(28,29)9-3-1-8(2-4-9)7-18-16(30)20-10(5-12(21)22)14(25)19-11(15(26)27)6-13(23)24/h1-4,10-11H,5-7H2,(H,19,25)(H,21,22)(H,23,24)(H,26,27)(H2,17,28,29)(H2,18,20,30)