2,4-bis(chloranyl)-5-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid Openeye Name: 2,4-dichloro-5-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid CAS Name: 2,4-dichloro-5-[[2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzoic acid Traditional Name: 2,4-dichloro-5-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-benzoic acid Formula: C20H21Cl2NO5S MolecularWeight: 458.35544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2NO5S/c1-28-14-8-6-13(7-9-14)18-5-3-2-4-10-23(18)29(26,27)19-11-15(20(24)25)16(21)12-17(19)22/h6-9,11-12,18H,2-5,10H2,1H3,(H,24,25)