4-[2-cyanoethyl(phenyl)sulfamoyl]butanoate

Systemtic Name: 4-[2-cyanoethyl(phenyl)sulfamoyl]butanoate Openeye Name: 4-[2-cyanoethyl(phenyl)sulfamoyl]butanoate CAS Name: 4-[2-cyanoethyl(phenyl)sulfamoyl]butanoate IUPAC Name: 4-[2-cyanoethyl(phenyl)sulfamoyl]butanoate Traditional Name: 4-[2-cyanoethyl(phenyl)sulfamoyl]butyrate Formula: C13H15N2O4S- MolecularWeight: 295.3342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)S(=O)(=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)S(=O)(=O)CCCC(=O)[O-]

InChI

InChI=1S/C13H16N2O4S/c14-9-5-10-15(12-6-2-1-3-7-12)20(18,19)11-4-8-13(16)17/h1-3,6-7H,4-5,8,10-11H2,(H,16,17)/p-1