3-oxidanyl-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid Openeye Name: 3-hydroxy-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid CAS Name: 3-hydroxy-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid Traditional Name: 3-hydroxy-2-[(4-sulfamoylphenyl)thiocarbamoylamino]butyric acid Formula: C11H15N3O5S2 MolecularWeight: 333.3839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N)O

Isomeric SMILES

CC(C(C(=O)O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N)O

InChI

InChI=1S/C11H15N3O5S2/c1-6(15)9(10(16)17)14-11(20)13-7-2-4-8(5-3-7)21(12,18)19/h2-6,9,15H,1H3,(H,16,17)(H2,12,18,19)(H2,13,14,20)