(2,5-dimethylphenyl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2,5-dimethylphenyl)methyl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (2,5-dimethylbenzyl) ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO5S/c1-14-3-4-15(2)17(11-14)13-27-20(23)16-5-6-18(21)19(12-16)28(24,25)22-7-9-26-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3