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

Systemtic Name: 6-[(3-azanyl-5-sulfo-phenyl)carbonylamino]hexanoic acid Openeye Name: 6-[(3-amino-5-sulfo-benzoyl)amino]hexanoic acid CAS Name: 6-[[(3-amino-5-sulfophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(3-amino-5-sulfobenzoyl)amino]hexanoic acid Traditional Name: 6-[(3-amino-5-sulfo-benzoyl)amino]hexanoic acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N)S(=O)(=O)O)C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1N)S(=O)(=O)O)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H18N2O6S/c14-10-6-9(7-11(8-10)22(19,20)21)13(18)15-5-3-1-2-4-12(16)17/h6-8H,1-5,14H2,(H,15,18)(H,16,17)(H,19,20,21)