2-(azepan-1-ylsulfonylamino)-5-chloranyl-benzoic acid

Systemtic Name: 2-(azepan-1-ylsulfonylamino)-5-chloranyl-benzoic acid Openeye Name: 2-(azepan-1-ylsulfonylamino)-5-chloro-benzoic acid CAS Name: 2-(1-azepanylsulfonylamino)-5-chlorobenzoic acid IUPAC Name: 2-(azepan-1-ylsulfonylamino)-5-chlorobenzoic acid Traditional Name: 2-(azepan-1-ylsulfonylamino)-5-chloro-benzoic acid Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H17ClN2O4S/c14-10-5-6-12(11(9-10)13(17)18)15-21(19,20)16-7-3-1-2-4-8-16/h5-6,9,15H,1-4,7-8H2,(H,17,18)