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

Systemtic Name: 3-[5-chloranyl-1-[3-(4-methoxyphenyl)phenyl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-chloro-1-[3-(4-methoxyphenyl)phenyl]sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-chloro-1-[3-(4-methoxyphenyl)phenyl]sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-chloro-1-[3-(4-methoxyphenyl)phenyl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-chloro-1-[3-(4-methoxyphenyl)phenyl]sulfonyl-indol-3-yl]propionic acid Formula: C24H20ClNO5S MolecularWeight: 469.9373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)N3C=C(C4=C3C=CC(=C4)Cl)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)N3C=C(C4=C3C=CC(=C4)Cl)CCC(=O)O

InChI

InChI=1S/C24H20ClNO5S/c1-31-20-9-5-16(6-10-20)17-3-2-4-21(13-17)32(29,30)26-15-18(7-12-24(27)28)22-14-19(25)8-11-23(22)26/h2-6,8-11,13-15H,7,12H2,1H3,(H,27,28)