6-(1,2-benzoxazol-3-ylmethylsulfonylamino)hexanoic acid

Systemtic Name: 6-(1,2-benzoxazol-3-ylmethylsulfonylamino)hexanoic acid Openeye Name: 6-(1,2-benzoxazol-3-ylmethylsulfonylamino)hexanoic acid CAS Name: 6-(1,2-benzoxazol-3-ylmethylsulfonylamino)hexanoic acid IUPAC Name: 6-(1,2-benzoxazol-3-ylmethylsulfonylamino)hexanoic acid Traditional Name: 6-(indoxazen-3-ylmethylsulfonylamino)hexanoic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)NCCCCCC(=O)O

InChI

InChI=1S/C14H18N2O5S/c17-14(18)8-2-1-5-9-15-22(19,20)10-12-11-6-3-4-7-13(11)21-16-12/h3-4,6-7,15H,1-2,5,8-10H2,(H,17,18)