methyl 2-[(4-bromanyl-2-phenyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: methyl 2-[(4-bromanyl-2-phenyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: methyl 2-[(4-bromo-2-phenyl-benzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: 2-[[(4-bromo-2-phenylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-phenylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: 2-[(4-bromo-2-phenyl-benzoyl)amino]-4-mesyl-butyric acid methyl ester Formula: C19H20BrNO5S MolecularWeight: 454.3348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CC=C2

InChI

InChI=1S/C19H20BrNO5S/c1-26-19(23)17(10-11-27(2,24)25)21-18(22)15-9-8-14(20)12-16(15)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,21,22)