6-[(3-azido-5-sulfo-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(3-azido-5-sulfo-phenyl)carbonylamino]hexanoic acid Openeye Name: 6-[(3-azido-5-sulfo-benzoyl)amino]hexanoic acid CAS Name: 6-[[(3-azido-5-sulfophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(3-azido-5-sulfobenzoyl)amino]hexanoic acid Traditional Name: 6-[(3-azido-5-sulfo-benzoyl)amino]hexanoic acid Formula: C13H16N4O6S MolecularWeight: 356.35434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N=[N+]=[N-])S(=O)(=O)O)C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1N=[N+]=[N-])S(=O)(=O)O)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H16N4O6S/c14-17-16-10-6-9(7-11(8-10)24(21,22)23)13(20)15-5-3-1-2-4-12(18)19/h6-8H,1-5H2,(H,15,20)(H,18,19)(H,21,22,23)