3-cyanopropyl 4-[2-(methylsulfonylamino)ethyl]benzoate

Systemtic Name: 3-cyanopropyl 4-[2-(methylsulfonylamino)ethyl]benzoate Openeye Name: 3-cyanopropyl 4-[2-(methanesulfonamido)ethyl]benzoate CAS Name: 4-[2-(methanesulfonamido)ethyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-[2-(methanesulfonamido)ethyl]benzoate Traditional Name: 4-[2-(methanesulfonamido)ethyl]benzoic acid 3-cyanopropyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)OCCCC#N

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)OCCCC#N

InChI

InChI=1S/C14H18N2O4S/c1-21(18,19)16-10-8-12-4-6-13(7-5-12)14(17)20-11-3-2-9-15/h4-7,16H,2-3,8,10-11H2,1H3