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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-fluoranyl-4-methoxy-benzoic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-2-fluoro-4-methoxy-benzoic acid CAS Name: 5-(1-azepanylsulfonyl)-2-fluoro-4-methoxybenzoic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-fluoro-4-methoxybenzoic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-2-fluoro-4-methoxy-benzoic acid Formula: C14H18FNO5S MolecularWeight: 331.359823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)F)C(=O)O)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C(=C1)F)C(=O)O)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H18FNO5S/c1-21-12-9-11(15)10(14(17)18)8-13(12)22(19,20)16-6-4-2-3-5-7-16/h8-9H,2-7H2,1H3,(H,17,18)