[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C14H13NO5S MolecularWeight: 307.32172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C14H13NO5S/c1-21(18,19)11-6-4-10(5-7-11)14(17)20-9-13(16)12-3-2-8-15-12/h2-8,15H,9H2,1H3