ethyl 3-bromanyl-4-[3-(ethoxycarbonylamino)phenoxy]sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-[3-(ethoxycarbonylamino)phenoxy]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[3-(ethoxycarbonylamino)phenoxy]sulfonyl-benzoate CAS Name: 3-bromo-4-[3-(ethoxycarbonylamino)phenoxy]sulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[3-(ethoxycarbonylamino)phenoxy]sulfonylbenzoate Traditional Name: 3-bromo-4-[3-(carbethoxyamino)phenoxy]sulfonyl-benzoic acid ethyl ester Formula: C18H18BrNO7S MolecularWeight: 472.30702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC(=O)OCC)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC(=O)OCC)Br

InChI

InChI=1S/C18H18BrNO7S/c1-3-25-17(21)12-8-9-16(15(19)10-12)28(23,24)27-14-7-5-6-13(11-14)20-18(22)26-4-2/h5-11H,3-4H2,1-2H3,(H,20,22)