4-[[4-(cyanomethyl)phenyl]sulfamoyl]butanoic acid

Systemtic Name: 4-[[4-(cyanomethyl)phenyl]sulfamoyl]butanoic acid Openeye Name: 4-[[4-(cyanomethyl)phenyl]sulfamoyl]butanoic acid CAS Name: 4-[[4-(cyanomethyl)phenyl]sulfamoyl]butanoic acid IUPAC Name: 4-[[4-(cyanomethyl)phenyl]sulfamoyl]butanoic acid Traditional Name: 4-[[4-(cyanomethyl)phenyl]sulfamoyl]butyric acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NS(=O)(=O)CCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)NS(=O)(=O)CCCC(=O)O

InChI

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