4-[(5-chloranyl-2-cyano-phenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(5-chloranyl-2-cyano-phenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(5-chloro-2-cyano-phenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(5-chloro-2-cyano-phenyl)sulfonyl-methyl-amino]butyric acid Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O4S/c1-15(6-2-3-12(16)17)20(18,19)11-7-10(13)5-4-9(11)8-14/h4-5,7H,2-3,6H2,1H3,(H,16,17)