4-[(3-cyanophenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(3-cyanophenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(3-cyanophenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(3-cyanophenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(3-cyanophenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(3-cyanophenyl)sulfonyl-methyl-amino]butyric acid Formula: C12H14N2O4S MolecularWeight: 282.31556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C12H14N2O4S/c1-14(7-3-6-12(15)16)19(17,18)11-5-2-4-10(8-11)9-13/h2,4-5,8H,3,6-7H2,1H3,(H,15,16)