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

Systemtic Name: 3-[1-(3-fluoranyl-4-methyl-phenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-(3-fluoro-4-methyl-phenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid Traditional Name: 3-[1-(3-fluoro-4-methyl-phenyl)sulfonyl-5-methoxy-indol-3-yl]propionic acid Formula: C19H18FNO5S MolecularWeight: 391.413323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CCC(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CCC(=O)O)F

InChI

InChI=1S/C19H18FNO5S/c1-12-3-6-15(10-17(12)20)27(24,25)21-11-13(4-8-19(22)23)16-9-14(26-2)5-7-18(16)21/h3,5-7,9-11H,4,8H2,1-2H3,(H,22,23)