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

Systemtic Name: 6-azanyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]hexanoic acid Openeye Name: 6-amino-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]hexanoic acid CAS Name: 6-amino-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]hexanoic acid Traditional Name: 6-amino-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]hexanoic acid Formula: C14H22N4O4S2 MolecularWeight: 374.47888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O4S2/c15-8-2-1-3-12(13(19)20)18-14(23)17-9-10-4-6-11(7-5-10)24(16,21)22/h4-7,12H,1-3,8-9,15H2,(H,19,20)(H2,16,21,22)(H2,17,18,23)