3-[4-chloranyl-7-fluoranyl-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[4-chloranyl-7-fluoranyl-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[4-chloro-7-fluoro-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[4-chloro-7-fluoro-1-(4-methoxyphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[4-chloro-7-fluoro-1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[4-chloro-7-fluoro-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propionic acid Formula: C18H15ClFNO5S MolecularWeight: 411.831803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC(=C32)F)Cl)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC(=C32)F)Cl)CCC(=O)O

InChI

InChI=1S/C18H15ClFNO5S/c1-26-12-3-5-13(6-4-12)27(24,25)21-10-11(2-9-16(22)23)17-14(19)7-8-15(20)18(17)21/h3-8,10H,2,9H2,1H3,(H,22,23)