2-(4-cyanophenyl)sulfonyl-7-(2-methoxyphenyl)heptanoic acid

Systemtic Name: 2-(4-cyanophenyl)sulfonyl-7-(2-methoxyphenyl)heptanoic acid Openeye Name: 2-(4-cyanophenyl)sulfonyl-7-(2-methoxyphenyl)heptanoic acid CAS Name: 2-(4-cyanophenyl)sulfonyl-7-(2-methoxyphenyl)heptanoic acid IUPAC Name: 2-(4-cyanophenyl)sulfonyl-7-(2-methoxyphenyl)heptanoic acid Traditional Name: 2-(4-cyanophenyl)sulfonyl-7-(2-methoxyphenyl)enanthic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

COC1=CC=CC=C1CCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23NO5S/c1-27-19-9-6-5-8-17(19)7-3-2-4-10-20(21(23)24)28(25,26)18-13-11-16(15-22)12-14-18/h5-6,8-9,11-14,20H,2-4,7,10H2,1H3,(H,23,24)