ethyl 2-[2-[(4-azanyl-2-bromanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfonylethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)CC(=O)NC1=C(C=C(C=C1)N)Br

Isomeric SMILES

CCOC(=O)CS(=O)(=O)CC(=O)NC1=C(C=C(C=C1)N)Br

InChI

InChI=1S/C12H15BrN2O5S/c1-2-20-12(17)7-21(18,19)6-11(16)15-10-4-3-8(14)5-9(10)13/h3-5H,2,6-7,14H2,1H3,(H,15,16)