5-[[6,7-bis(fluoranyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-methyl-benzoic acid

Systemtic Name: 5-[[6,7-bis(fluoranyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-methyl-benzoic acid Openeye Name: 5-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methyl-benzoic acid CAS Name: 5-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methylbenzoic acid Traditional Name: 5-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methyl-benzoic acid Formula: C17H15F2NO4S MolecularWeight: 367.367106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC3=CC(=C(C=C32)F)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC3=CC(=C(C=C32)F)F)C(=O)O

InChI

InChI=1S/C17H15F2NO4S/c1-10-4-5-12(8-13(10)17(21)22)25(23,24)20-6-2-3-11-7-14(18)15(19)9-16(11)20/h4-5,7-9H,2-3,6H2,1H3,(H,21,22)