methyl 3-[2-[(4-azanyl-2-bromanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate

Systemtic Name: methyl 3-[2-[(4-azanyl-2-bromanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate Openeye Name: methyl 3-[2-(4-amino-2-bromo-anilino)-2-oxo-ethyl]sulfonylpropanoate CAS Name: 3-[2-(4-amino-2-bromoanilino)-2-oxoethyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-amino-2-bromoanilino)-2-oxoethyl]sulfonylpropanoate Traditional Name: 3-[2-(4-amino-2-bromo-anilino)-2-keto-ethyl]sulfonylpropionic acid methyl ester Formula: C12H15BrN2O5S MolecularWeight: 379.2269

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)CC(=O)NC1=C(C=C(C=C1)N)Br

Isomeric SMILES

COC(=O)CCS(=O)(=O)CC(=O)NC1=C(C=C(C=C1)N)Br

InChI

InChI=1S/C12H15BrN2O5S/c1-20-12(17)4-5-21(18,19)7-11(16)15-10-3-2-8(14)6-9(10)13/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)