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

Systemtic Name: 4-[(4-chloranyl-2-methoxy-phenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(4-chloro-2-methoxy-phenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(4-chloro-2-methoxy-phenyl)sulfonyl-methyl-amino]butyric acid Formula: C12H16ClNO5S MolecularWeight: 321.77714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)C1=C(C=C(C=C1)Cl)OC

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=C(C=C(C=C1)Cl)OC

InChI

InChI=1S/C12H16ClNO5S/c1-14(7-3-4-12(15)16)20(17,18)11-6-5-9(13)8-10(11)19-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)