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

Systemtic Name: 7-(4-chlorophenyl)-2-(4-cyanophenyl)sulfonyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-(4-cyanophenyl)sulfonyl-heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-(4-cyanophenyl)sulfonylheptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-(4-cyanophenyl)sulfonylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-(4-cyanophenyl)sulfonyl-enanthic acid Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C20H20ClNO4S/c21-17-10-6-15(7-11-17)4-2-1-3-5-19(20(23)24)27(25,26)18-12-8-16(14-22)9-13-18/h6-13,19H,1-5H2,(H,23,24)