2-[(2-bromanyl-4-methyl-phenyl)sulfonylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[(2-bromanyl-4-methyl-phenyl)sulfonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(2-bromo-4-methyl-phenyl)sulfonylamino]-3,3-dimethyl-butanoic acid CAS Name: 2-[(2-bromo-4-methylphenyl)sulfonylamino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(2-bromo-4-methylphenyl)sulfonylamino]-3,3-dimethylbutanoic acid Traditional Name: 2-[(2-bromo-4-methyl-phenyl)sulfonylamino]-3,3-dimethyl-butyric acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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