4-(azepan-1-ylsulfonylamino)-2-oxidanyl-benzoate

Systemtic Name: 4-(azepan-1-ylsulfonylamino)-2-oxidanyl-benzoate Openeye Name: 4-(azepan-1-ylsulfonylamino)-2-hydroxy-benzoate CAS Name: 4-(1-azepanylsulfonylamino)-2-hydroxybenzoate IUPAC Name: 4-(azepan-1-ylsulfonylamino)-2-hydroxybenzoate Traditional Name: 4-(azepan-1-ylsulfonylamino)-2-hydroxy-benzoate Formula: C13H17N2O5S- MolecularWeight: 313.34948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)[O-])O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)[O-])O

InChI

InChI=1S/C13H18N2O5S/c16-12-9-10(5-6-11(12)13(17)18)14-21(19,20)15-7-3-1-2-4-8-15/h5-6,9,14,16H,1-4,7-8H2,(H,17,18)/p-1