3-[(8-fluoranyl-6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methyl-benzoic acid

Systemtic Name: 3-[(8-fluoranyl-6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methyl-benzoic acid Openeye Name: 3-[(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methyl-benzoic acid CAS Name: 3-[(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylbenzoic acid Traditional Name: 3-[(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methyl-benzoic acid Formula: C18H18FNO4S MolecularWeight: 363.403223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FNO4S/c1-11-8-13-4-3-7-20(17(13)15(19)9-11)25(23,24)16-10-14(18(21)22)6-5-12(16)2/h5-6,8-10H,3-4,7H2,1-2H3,(H,21,22)