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

Systemtic Name: 5-[[2,4-bis(chloranyl)-3-methyl-phenyl]sulfonyl-methyl-amino]pentanoic acid Openeye Name: 5-[(2,4-dichloro-3-methyl-phenyl)sulfonyl-methyl-amino]pentanoic acid CAS Name: 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]pentanoic acid IUPAC Name: 5-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]pentanoic acid Traditional Name: 5-[(2,4-dichloro-3-methyl-phenyl)sulfonyl-methyl-amino]valeric acid Formula: C13H17Cl2NO4S MolecularWeight: 354.24938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2NO4S/c1-9-10(14)6-7-11(13(9)15)21(19,20)16(2)8-4-3-5-12(17)18/h6-7H,3-5,8H2,1-2H3,(H,17,18)