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

Systemtic Name: 2-(azepan-1-ylsulfonylamino)-4-chloranyl-benzoate Openeye Name: 2-(azepan-1-ylsulfonylamino)-4-chloro-benzoate CAS Name: 2-(1-azepanylsulfonylamino)-4-chlorobenzoate IUPAC Name: 2-(azepan-1-ylsulfonylamino)-4-chlorobenzoate Traditional Name: 2-(azepan-1-ylsulfonylamino)-4-chloro-benzoate Formula: C13H16ClN2O4S- MolecularWeight: 331.79514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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