methyl 2-[3,5-bis(bromanyl)-4-(3-cyclopentyl-4-oxidanyl-phenyl)sulfonyl-phenyl]ethanoate

Systemtic Name: methyl 2-[3,5-bis(bromanyl)-4-(3-cyclopentyl-4-oxidanyl-phenyl)sulfonyl-phenyl]ethanoate Openeye Name: methyl 2-[3,5-dibromo-4-(3-cyclopentyl-4-hydroxy-phenyl)sulfonyl-phenyl]acetate CAS Name: 2-[3,5-dibromo-4-(3-cyclopentyl-4-hydroxyphenyl)sulfonylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3,5-dibromo-4-(3-cyclopentyl-4-hydroxyphenyl)sulfonylphenyl]acetate Traditional Name: 2-[3,5-dibromo-4-(3-cyclopentyl-4-hydroxy-phenyl)sulfonyl-phenyl]acetic acid methyl ester Formula: C20H20Br2O5S MolecularWeight: 532.2428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=C(C(=C1)Br)S(=O)(=O)C2=CC(=C(C=C2)O)C3CCCC3)Br

Isomeric SMILES

COC(=O)CC1=CC(=C(C(=C1)Br)S(=O)(=O)C2=CC(=C(C=C2)O)C3CCCC3)Br

InChI

InChI=1S/C20H20Br2O5S/c1-27-19(24)10-12-8-16(21)20(17(22)9-12)28(25,26)14-6-7-18(23)15(11-14)13-4-2-3-5-13/h6-9,11,13,23H,2-5,10H2,1H3