4-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonylbenzoate

Systemtic Name: 4-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonylbenzoate Openeye Name: 4-[2-(cyanomethylamino)-2-oxo-ethyl]sulfonylbenzoate CAS Name: 4-[2-(cyanomethylamino)-2-oxoethyl]sulfonylbenzoate IUPAC Name: 4-[2-(cyanomethylamino)-2-oxoethyl]sulfonylbenzoate Traditional Name: 4-[2-(cyanomethylamino)-2-keto-ethyl]sulfonylbenzoate Formula: C11H9N2O5S- MolecularWeight: 281.26456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CC(=O)NCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CC(=O)NCC#N

InChI

InChI=1S/C11H10N2O5S/c12-5-6-13-10(14)7-19(17,18)9-3-1-8(2-4-9)11(15)16/h1-4H,6-7H2,(H,13,14)(H,15,16)/p-1