(2S)-2-azaniumyl-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: (2S)-2-azaniumyl-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: (2S)-2-azaniumyl-6-(p-tolylsulfonylamino)hexanoate CAS Name: (2S)-2-ammonio-6-[(4-methylphenyl)sulfonylamino]hexanoate IUPAC Name: (2S)-2-azaniumyl-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: (2S)-2-ammonio-6-(tosylamino)hexanoate Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H20N2O4S/c1-10-5-7-11(8-6-10)20(18,19)15-9-3-2-4-12(14)13(16)17/h5-8,12,15H,2-4,9,14H2,1H3,(H,16,17)/t12-/m0/s1