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

Systemtic Name: 3-[5-chloranyl-1-(3-fluoranyl-4-methyl-phenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-chloro-1-(3-fluoro-4-methyl-phenyl)sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-chloro-1-(3-fluoro-4-methylphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-chloro-1-(3-fluoro-4-methylphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-chloro-1-(3-fluoro-4-methyl-phenyl)sulfonyl-indol-3-yl]propionic acid Formula: C18H15ClFNO4S MolecularWeight: 395.832403

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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)Cl)CCC(=O)O)F

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClFNO4S/c1-11-2-5-14(9-16(11)20)26(24,25)21-10-12(3-7-18(22)23)15-8-13(19)4-6-17(15)21/h2,4-6,8-10H,3,7H2,1H3,(H,22,23)