3-[1-[3,4-bis(fluoranyl)phenyl]sulfonyl-5-methoxy-indol-3-yl]propanoic acid

Systemtic Name: 3-[1-[3,4-bis(fluoranyl)phenyl]sulfonyl-5-methoxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-(3,4-difluorophenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-(3,4-difluorophenyl)sulfonyl-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-(3,4-difluorophenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid Traditional Name: 3-[1-(3,4-difluorophenyl)sulfonyl-5-methoxy-indol-3-yl]propionic acid Formula: C18H15F2NO5S MolecularWeight: 395.377206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H15F2NO5S/c1-26-12-3-6-17-14(8-12)11(2-7-18(22)23)10-21(17)27(24,25)13-4-5-15(19)16(20)9-13/h3-6,8-10H,2,7H2,1H3,(H,22,23)