[2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-(2-methoxy-4-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-[2-methoxy-4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-keto-2-(2-methoxy-4-morpholinosulfonyl-anilino)ethyl] ester Formula: C21H23BrN2O8S MolecularWeight: 543.38492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrN2O8S/c1-29-19-12-17(33(27,28)24-7-9-30-10-8-24)5-6-18(19)23-20(25)13-32-21(26)14-31-16-4-2-3-15(22)11-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,23,25)