3-cyanopropyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: 3-cyanopropyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: 3-cyanopropyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 3-cyanopropyl ester Formula: C14H15N3O4S MolecularWeight: 321.3516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCC#N)S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCC#N)S(=O)(=O)NCCC#N

InChI

InChI=1S/C14H15N3O4S/c15-8-1-2-11-21-14(18)12-4-6-13(7-5-12)22(19,20)17-10-3-9-16/h4-7,17H,1-3,10-11H2