cyanomethyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: cyanomethyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: cyanomethyl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid cyanomethyl ester Formula: C13H13BrN2O5S MolecularWeight: 389.22172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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