methyl 2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-methylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C13H18BrNO4S/c1-8(2)12(13(16)19-4)15-20(17,18)11-7-10(14)6-5-9(11)3/h5-8,12,15H,1-4H3