3-(azepan-1-ylsulfonyl)-2-chloranyl-6-fluoranyl-benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonyl)-2-chloranyl-6-fluoranyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-2-chloro-6-fluoro-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-2-chloro-6-fluorobenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-2-chloro-6-fluorobenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-2-chloro-6-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)F)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClFNO4S/c14-12-10(6-5-9(15)11(12)13(17)18)21(19,20)16-7-3-1-2-4-8-16/h5-6H,1-4,7-8H2,(H,17,18)