3-(azepan-1-ylsulfonyl)-5-chloranyl-2-fluoranyl-benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonyl)-5-chloranyl-2-fluoranyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-5-chloro-2-fluoro-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-5-chloro-2-fluorobenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-5-chloro-2-fluorobenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-5-chloro-2-fluoro-benzoic acid Formula: C13H15ClFNO4S MolecularWeight: 335.778903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C(=CC(=C2)Cl)C(=O)O)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C(=CC(=C2)Cl)C(=O)O)F

InChI

InChI=1S/C13H15ClFNO4S/c14-9-7-10(13(17)18)12(15)11(8-9)21(19,20)16-5-3-1-2-4-6-16/h7-8H,1-6H2,(H,17,18)