4-azanyl-2-[(2-bromanyl-4-methyl-phenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(2-bromanyl-4-methyl-phenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(2-bromo-4-methyl-phenyl)sulfonylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(2-bromo-4-methyl-phenyl)sulfonylamino]-4-keto-butyric acid Formula: C11H13BrN2O5S MolecularWeight: 365.20032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrN2O5S/c1-6-2-3-9(7(12)4-6)20(18,19)14-8(11(16)17)5-10(13)15/h2-4,8,14H,5H2,1H3,(H2,13,15)(H,16,17)