cyanomethyl 2-bromanyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: cyanomethyl 2-bromanyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: cyanomethyl 2-bromo-5-morpholinosulfonyl-benzoate CAS Name: 2-bromo-5-(4-morpholinylsulfonyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-bromo-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-bromo-5-morpholinosulfonyl-benzoic acid cyanomethyl ester Formula: C13H13BrN2O5S MolecularWeight: 389.22172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC#N

InChI

InChI=1S/C13H13BrN2O5S/c14-12-2-1-10(9-11(12)13(17)21-6-3-15)22(18,19)16-4-7-20-8-5-16/h1-2,9H,4-8H2