4-[(2-cyanophenyl)methylsulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(2-cyanophenyl)methylsulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-cyanophenyl)methylsulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(2-cyanophenyl)methylsulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(2-cyanophenyl)methylsulfonyl-methylamino]butanoic acid Traditional Name: 4-[(2-cyanobenzyl)sulfonyl-methyl-amino]butyric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)CC1=CC=CC=C1C#N

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)CC1=CC=CC=C1C#N

InChI

InChI=1S/C13H16N2O4S/c1-15(8-4-7-13(16)17)20(18,19)10-12-6-3-2-5-11(12)9-14/h2-3,5-6H,4,7-8,10H2,1H3,(H,16,17)