3-(azepan-1-ylsulfonyl)benzoate

Molecular Formula: C₁₃H₁₆NO₄S^-

InChI: InChI=1/C13H17NO4S/c15-13(16)11-6-5-7-12(10-11)19(17,18)14-8-3-1-2-4-9-14/h5-7,10H,1-4,8-9H2,(H,15,16)/p-1/fC13H16NO4S/q-1

InChIKey: InChIKey=KDJJBORBRZBZPN-KNZDFBKNCF
SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)[O-]

Names:
    3-(azepan-1-ylsulfonyl)benzoate

Registries:
    PubChem CID 4142077
    PubChem ID 6078534