2-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-(azepan-1-ylsulfonyl)benzoate CAS Name: 2-(1-azepanylsulfonyl)benzoate IUPAC Name: 2-(azepan-1-ylsulfonyl)benzoate Traditional Name: 2-(azepan-1-ylsulfonyl)benzoate Formula: C13H16NO4S- MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H17NO4S/c15-13(16)11-7-3-4-8-12(11)19(17,18)14-9-5-1-2-6-10-14/h3-4,7-8H,1-2,5-6,9-10H2,(H,15,16)/p-1