4-[(4-cyanophenyl)methylsulfonylamino]butanoate

Systemtic Name: 4-[(4-cyanophenyl)methylsulfonylamino]butanoate Openeye Name: 4-[(4-cyanophenyl)methylsulfonylamino]butanoate CAS Name: 4-[(4-cyanophenyl)methylsulfonylamino]butanoate IUPAC Name: 4-[(4-cyanophenyl)methylsulfonylamino]butanoate Traditional Name: 4-[(4-cyanobenzyl)sulfonylamino]butyrate Formula: C12H13N2O4S- MolecularWeight: 281.30762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)NCCCC(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)NCCCC(=O)[O-])C#N

InChI

InChI=1S/C12H14N2O4S/c13-8-10-3-5-11(6-4-10)9-19(17,18)14-7-1-2-12(15)16/h3-6,14H,1-2,7,9H2,(H,15,16)/p-1