2-(azepan-1-ylsulfonylamino)benzoic acid

Systemtic Name: 2-(azepan-1-ylsulfonylamino)benzoic acid Openeye Name: 2-(azepan-1-ylsulfonylamino)benzoic acid CAS Name: 2-(1-azepanylsulfonylamino)benzoic acid IUPAC Name: 2-(azepan-1-ylsulfonylamino)benzoic acid Traditional Name: 2-(azepan-1-ylsulfonylamino)benzoic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H18N2O4S/c16-13(17)11-7-3-4-8-12(11)14-20(18,19)15-9-5-1-2-6-10-15/h3-4,7-8,14H,1-2,5-6,9-10H2,(H,16,17)