5-(azepan-1-ylsulfonyl)-4-chloranyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-(azepan-1-ylsulfonyl)-4-chloranyl-2-fluoranyl-benzoic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-4-chloro-2-fluoro-benzoic acid CAS Name: 5-(1-azepanylsulfonyl)-4-chloro-2-fluorobenzoic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-4-chloro-2-fluorobenzoic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-4-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=C(C(=C2)C(=O)O)F)Cl

Isomeric SMILES

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

InChI

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