(2-methylphenyl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2-methylphenyl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: o-tolylmethyl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (2-methylbenzyl) ester Formula: C19H20BrNO5S MolecularWeight: 454.3348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H20BrNO5S/c1-14-4-2-3-5-16(14)13-26-19(22)15-6-7-17(20)18(12-15)27(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11,13H2,1H3