2H-pyridin-1-ylsulfonyl 4-(4-bromanyl-3-methyl-phenyl)oxane-4-carboxylate

Systemtic Name: 2H-pyridin-1-ylsulfonyl 4-(4-bromanyl-3-methyl-phenyl)oxane-4-carboxylate Openeye Name: 2H-pyridin-1-ylsulfonyl 4-(4-bromo-3-methyl-phenyl)tetrahydropyran-4-carboxylate CAS Name: 4-(4-bromo-3-methylphenyl)-4-oxanecarboxylic acid 2H-pyridin-1-ylsulfonyl ester IUPAC Name: 2H-pyridin-1-ylsulfonyl 4-(4-bromo-3-methylphenyl)oxane-4-carboxylate Traditional Name: 4-(4-bromo-3-methyl-phenyl)tetrahydropyran-4-carboxylic acid 2H-pyridin-1-ylsulfonyl ester Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(CCOCC2)C(=O)OS(=O)(=O)N3CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2(CCOCC2)C(=O)OS(=O)(=O)N3CC=CC=C3)Br

InChI

InChI=1S/C18H20BrNO5S/c1-14-13-15(5-6-16(14)19)18(7-11-24-12-8-18)17(21)25-26(22,23)20-9-3-2-4-10-20/h2-6,9,13H,7-8,10-12H2,1H3