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

Systemtic Name: methyl 2-[3,5-bis(bromanyl)-4-(3-cyclohexyl-4-methoxy-phenyl)sulfonyl-phenyl]ethanoate Openeye Name: methyl 2-[3,5-dibromo-4-(3-cyclohexyl-4-methoxy-phenyl)sulfonyl-phenyl]acetate CAS Name: 2-[3,5-dibromo-4-(3-cyclohexyl-4-methoxyphenyl)sulfonylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3,5-dibromo-4-(3-cyclohexyl-4-methoxyphenyl)sulfonylphenyl]acetate Traditional Name: 2-[3,5-dibromo-4-(3-cyclohexyl-4-methoxy-phenyl)sulfonyl-phenyl]acetic acid methyl ester Formula: C22H24Br2O5S MolecularWeight: 560.29596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2Br)CC(=O)OC)Br)C3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2Br)CC(=O)OC)Br)C3CCCCC3

InChI

InChI=1S/C22H24Br2O5S/c1-28-20-9-8-16(13-17(20)15-6-4-3-5-7-15)30(26,27)22-18(23)10-14(11-19(22)24)12-21(25)29-2/h8-11,13,15H,3-7,12H2,1-2H3