4-fluoranyl-3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-fluoranyl-3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid Openeye Name: 4-fluoro-3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid CAS Name: 4-fluoro-3-[[2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]benzoic acid IUPAC Name: 4-fluoro-3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoic acid Traditional Name: 4-fluoro-3-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C20H22FNO5S/c1-27-16-9-6-14(7-10-16)18-5-3-2-4-12-22(18)28(25,26)19-13-15(20(23)24)8-11-17(19)21/h6-11,13,18H,2-5,12H2,1H3,(H,23,24)