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

Systemtic Name: ethyl 3-bromanyl-4-[4-(cyanomethyl)phenoxy]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[4-(cyanomethyl)phenoxy]sulfonyl-benzoate CAS Name: 3-bromo-4-[4-(cyanomethyl)phenoxy]sulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[4-(cyanomethyl)phenoxy]sulfonylbenzoate Traditional Name: 3-bromo-4-[4-(cyanomethyl)phenoxy]sulfonyl-benzoic acid ethyl ester Formula: C17H14BrNO5S MolecularWeight: 424.26576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC#N)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC#N)Br

InChI

InChI=1S/C17H14BrNO5S/c1-2-23-17(20)13-5-8-16(15(18)11-13)25(21,22)24-14-6-3-12(4-7-14)9-10-19/h3-8,11H,2,9H2,1H3