3-[5-chloranyl-1-[3-(4-ethoxyphenyl)phenyl]sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-chloranyl-1-[3-(4-ethoxyphenyl)phenyl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-chloro-1-[3-(4-ethoxyphenyl)phenyl]sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-chloro-1-[3-(4-ethoxyphenyl)phenyl]sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-chloro-1-[3-(4-ethoxyphenyl)phenyl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-chloro-1-(3-p-phenetylphenyl)sulfonyl-indol-3-yl]propionic acid Formula: C25H22ClNO5S MolecularWeight: 483.96388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)N3C=C(C4=C3C=CC(=C4)Cl)CCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)N3C=C(C4=C3C=CC(=C4)Cl)CCC(=O)O

InChI

InChI=1S/C25H22ClNO5S/c1-2-32-21-10-6-17(7-11-21)18-4-3-5-22(14-18)33(30,31)27-16-19(8-13-25(28)29)23-15-20(26)9-12-24(23)27/h3-7,9-12,14-16H,2,8,13H2,1H3,(H,28,29)