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6-azanyl-2-[(4-methylphenyl)sulfonylamino]hexanoic acid; 2,4-bis(chloranyl)pentan-3-one

6-azanyl-2-[(4-methylphenyl)sulfonylamino]hexanoic acid; 2,4-bis(chloranyl)pentan-3-one

Systemtic Name:6-azanyl-2-[(4-methylphenyl)sulfonylamino]hexanoic acid; 2,4-bis(chloranyl)pentan-3-one
Openeye Name:6-amino-2-(p-tolylsulfonylamino)hexanoic acid; 2,4-dichloropentan-3-one
CAS Name:6-amino-2-[(4-methylphenyl)sulfonylamino]hexanoic acid; 2,4-dichloro-3-pentanone
IUPAC Name:6-amino-2-[(4-methylphenyl)sulfonylamino]hexanoic acid; 2,4-dichloropentan-3-one
Traditional Name:6-amino-2-(tosylamino)hexanoic acid; 2,4-dichloropentan-3-one
Formula: C18H28Cl2N2O5S
MolecularWeight: 455.39632
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCN)C(=O)O.CC(C(=O)C(C)Cl)Cl


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCN)C(=O)O.CC(C(=O)C(C)Cl)Cl


InChI

InChI=1S/C13H20N2O4S.C5H8Cl2O/c1-10-5-7-11(8-6-10)20(18,19)15-12(13(16)17)4-2-3-9-14;1-3(6)5(8)4(2)7/h5-8,12,15H,2-4,9,14H2,1H3,(H,16,17);3-4H,1-2H3


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