disodium (2S)-2-[(4-methylphenyl)sulfonylamino]pentanedioate

Systemtic Name: disodium (2S)-2-[(4-methylphenyl)sulfonylamino]pentanedioate Openeye Name: disodium (2S)-2-(p-tolylsulfonylamino)pentanedioate CAS Name: disodium (2S)-2-[(4-methylphenyl)sulfonylamino]pentanedioate IUPAC Name: disodium (2S)-2-[(4-methylphenyl)sulfonylamino]pentanedioate Traditional Name: disodium (2S)-2-(tosylamino)glutarate Formula: C12H13NNa2O6S MolecularWeight: 345.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H15NO6S.2Na/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15;;/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17);;/q;2*+1/p-2/t10-;;/m0../s1