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6-azanyl-2-[(4-sulfamoylphenyl)carbamothioylamino]hexanoic acid

6-azanyl-2-[(4-sulfamoylphenyl)carbamothioylamino]hexanoic acid

Systemtic Name:6-azanyl-2-[(4-sulfamoylphenyl)carbamothioylamino]hexanoic acid
Openeye Name:6-amino-2-[(4-sulfamoylphenyl)carbamothioylamino]hexanoic acid
CAS Name:6-amino-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]hexanoic acid
IUPAC Name:6-amino-2-[(4-sulfamoylphenyl)carbamothioylamino]hexanoic acid
Traditional Name:6-amino-2-[(4-sulfamoylphenyl)thiocarbamoylamino]hexanoic acid
Formula: C13H20N4O4S2
MolecularWeight: 360.4523
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(CCCCN)C(=O)O)S(=O)(=O)N


Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(CCCCN)C(=O)O)S(=O)(=O)N


InChI

InChI=1S/C13H20N4O4S2/c14-8-2-1-3-11(12(18)19)17-13(22)16-9-4-6-10(7-5-9)23(15,20)21/h4-7,11H,1-3,8,14H2,(H,18,19)(H2,15,20,21)(H2,16,17,22)


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