2-[5,6-bis(fluoranyl)-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[5,6-bis(fluoranyl)-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylic acid Openeye Name: 2-[5,6-difluoro-1-(p-tolylsulfonyl)indol-3-yl]cyclopropanecarboxylic acid CAS Name: 2-[5,6-difluoro-1-(4-methylphenyl)sulfonyl-3-indolyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[5,6-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid Traditional Name: 2-(5,6-difluoro-1-tosyl-indol-3-yl)cyclopropanecarboxylic acid Formula: C19H15F2NO4S MolecularWeight: 391.388506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC(=C(C=C32)F)F)C4CC4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC(=C(C=C32)F)F)C4CC4C(=O)O

InChI

InChI=1S/C19H15F2NO4S/c1-10-2-4-11(5-3-10)27(25,26)22-9-15(12-6-14(12)19(23)24)13-7-16(20)17(21)8-18(13)22/h2-5,7-9,12,14H,6H2,1H3,(H,23,24)