3-[3-[ethyl-(4-fluorophenyl)sulfonyl-amino]-5-fluoranyl-2-methyl-indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[ethyl-(4-fluorophenyl)sulfonyl-amino]-5-fluoranyl-2-methyl-indol-1-yl]propanoic acid Openeye Name: 3-[3-[ethyl-(4-fluorophenyl)sulfonyl-amino]-5-fluoro-2-methyl-indol-1-yl]propanoic acid CAS Name: 3-[3-[ethyl-(4-fluorophenyl)sulfonylamino]-5-fluoro-2-methyl-1-indolyl]propanoic acid IUPAC Name: 3-[3-[ethyl-(4-fluorophenyl)sulfonylamino]-5-fluoro-2-methylindol-1-yl]propanoic acid Traditional Name: 3-[3-[ethyl-(4-fluorophenyl)sulfonyl-amino]-5-fluoro-2-methyl-indol-1-yl]propionic acid Formula: C20H20F2N2O4S MolecularWeight: 422.445606

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C2=C1C=C(C=C2)F)CCC(=O)O)C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(C1=C(N(C2=C1C=C(C=C2)F)CCC(=O)O)C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20F2N2O4S/c1-3-24(29(27,28)16-7-4-14(21)5-8-16)20-13(2)23(11-10-19(25)26)18-9-6-15(22)12-17(18)20/h4-9,12H,3,10-11H2,1-2H3,(H,25,26)