(3-morpholin-4-ylsulfonylphenyl)methyl 2-(2-bromanyl-4-methyl-phenoxy)ethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(2-bromanyl-4-methyl-phenoxy)ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(2-bromo-4-methyl-phenoxy)acetate CAS Name: 2-(2-bromo-4-methylphenoxy)acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(2-bromo-4-methylphenoxy)acetate Traditional Name: 2-(2-bromo-4-methyl-phenoxy)acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H22BrNO6S MolecularWeight: 484.36078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Br

InChI

InChI=1S/C20H22BrNO6S/c1-15-5-6-19(18(21)11-15)27-14-20(23)28-13-16-3-2-4-17(12-16)29(24,25)22-7-9-26-10-8-22/h2-6,11-12H,7-10,13-14H2,1H3