3-(azocan-1-ylsulfonyl)-4-fluoranyl-benzoate

Systemtic Name: 3-(azocan-1-ylsulfonyl)-4-fluoranyl-benzoate Openeye Name: 3-(azocan-1-ylsulfonyl)-4-fluoro-benzoate CAS Name: 3-(1-azocanylsulfonyl)-4-fluorobenzoate IUPAC Name: 3-(azocan-1-ylsulfonyl)-4-fluorobenzoate Traditional Name: 3-(azocan-1-ylsulfonyl)-4-fluoro-benzoate Formula: C14H17FNO4S- MolecularWeight: 314.352483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])F

Isomeric SMILES

C1CCCN(CCC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])F

InChI

InChI=1S/C14H18FNO4S/c15-12-7-6-11(14(17)18)10-13(12)21(19,20)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9H2,(H,17,18)/p-1