methyl 5-bromanyl-2-[(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate

Systemtic Name: methyl 5-bromanyl-2-[(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate Openeye Name: methyl 5-bromo-2-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate CAS Name: 5-bromo-2-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate Traditional Name: 5-bromo-2-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid methyl ester Formula: C17H15BrFNO4S MolecularWeight: 428.272703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCC3=C2C(=CC=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCC3=C2C(=CC=C3)F

InChI

InChI=1S/C17H15BrFNO4S/c1-24-17(21)13-10-12(18)7-8-15(13)25(22,23)20-9-3-5-11-4-2-6-14(19)16(11)20/h2,4,6-8,10H,3,5,9H2,1H3