3-(azepan-1-ylsulfonylamino)benzoate

Systemtic Name: 3-(azepan-1-ylsulfonylamino)benzoate Openeye Name: 3-(azepan-1-ylsulfonylamino)benzoate CAS Name: 3-(1-azepanylsulfonylamino)benzoate IUPAC Name: 3-(azepan-1-ylsulfonylamino)benzoate Traditional Name: 3-(azepan-1-ylsulfonylamino)benzoate Formula: C13H17N2O4S- MolecularWeight: 297.35008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c16-13(17)11-6-5-7-12(10-11)14-20(18,19)15-8-3-1-2-4-9-15/h5-7,10,14H,1-4,8-9H2,(H,16,17)/p-1