7-(5-chloranyl-2-methoxy-phenyl)-2-(4-cyanophenyl)sulfonyl-heptanoic acid

Systemtic Name: 7-(5-chloranyl-2-methoxy-phenyl)-2-(4-cyanophenyl)sulfonyl-heptanoic acid Openeye Name: 7-(5-chloro-2-methoxy-phenyl)-2-(4-cyanophenyl)sulfonyl-heptanoic acid CAS Name: 7-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenyl)sulfonylheptanoic acid IUPAC Name: 7-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenyl)sulfonylheptanoic acid Traditional Name: 7-(5-chloro-2-methoxy-phenyl)-2-(4-cyanophenyl)sulfonyl-enanthic acid Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22ClNO5S/c1-28-19-12-9-17(22)13-16(19)5-3-2-4-6-20(21(24)25)29(26,27)18-10-7-15(14-23)8-11-18/h7-13,20H,2-6H2,1H3,(H,24,25)