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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-5-fluoranyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-5-fluoro-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-5-fluorobenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-5-fluorobenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-5-fluoro-benzoic acid Formula: C13H16FNO4S MolecularWeight: 301.333843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FNO4S/c14-11-7-10(13(16)17)8-12(9-11)20(18,19)15-5-3-1-2-4-6-15/h7-9H,1-6H2,(H,16,17)