4-azanyl-2-[(3-bromanyl-4-methoxy-phenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(3-bromanyl-4-methoxy-phenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(3-bromo-4-methoxy-phenyl)sulfonylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(3-bromo-4-methoxy-phenyl)sulfonylamino]-4-keto-butyric acid Formula: C11H13BrN2O6S MolecularWeight: 381.19972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC(CC(=O)N)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC(CC(=O)N)C(=O)O)Br

InChI

InChI=1S/C11H13BrN2O6S/c1-20-9-3-2-6(4-7(9)12)21(18,19)14-8(11(16)17)5-10(13)15/h2-4,8,14H,5H2,1H3,(H2,13,15)(H,16,17)