4-[[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2,5-dichloro-3,6-dimethyl-phenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(2,5-dichloro-3,6-dimethyl-phenyl)sulfonyl-methyl-amino]butyric acid Formula: C13H17Cl2NO4S MolecularWeight: 354.24938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)S(=O)(=O)N(C)CCCC(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)S(=O)(=O)N(C)CCCC(=O)O)C)Cl

InChI

InChI=1S/C13H17Cl2NO4S/c1-8-7-10(14)9(2)13(12(8)15)21(19,20)16(3)6-4-5-11(17)18/h7H,4-6H2,1-3H3,(H,17,18)