2-bromanyl-5-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[[2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO5S/c1-27-15-8-6-14(7-9-15)19-5-3-2-4-12-22(19)28(25,26)16-10-11-18(21)17(13-16)20(23)24/h6-11,13,19H,2-5,12H2,1H3,(H,23,24)