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

Systemtic Name: 2-[(4-bromanyl-2-methyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(4-bromo-2-methyl-benzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(4-bromo-2-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(4-bromo-2-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(4-bromo-2-methyl-benzoyl)amino]-4-mesyl-butyric acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H16BrNO5S/c1-8-7-9(14)3-4-10(8)12(16)15-11(13(17)18)5-6-21(2,19)20/h3-4,7,11H,5-6H2,1-2H3,(H,15,16)(H,17,18)