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

Systemtic Name: disodium (2S)-2-[(4-methylphenyl)sulfonylamino]butanedioate Openeye Name: disodium (2S)-2-(p-tolylsulfonylamino)butanedioate CAS Name: disodium (2S)-2-[(4-methylphenyl)sulfonylamino]butanedioate IUPAC Name: disodium (2S)-2-[(4-methylphenyl)sulfonylamino]butanedioate Traditional Name: disodium (2S)-2-(tosylamino)succinate Formula: C11H11NNa2O6S MolecularWeight: 331.25268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6S.2Na/c1-7-2-4-8(5-3-7)19(17,18)12-9(11(15)16)6-10(13)14;;/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16);;/q;2*+1/p-2/t9-;;/m0../s1