(2S)-2-[(4-methylphenyl)sulfonylamino]-3-sulfonato-propanoate

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-sulfonato-propanoate Openeye Name: (2S)-2-(p-tolylsulfonylamino)-3-sulfonato-propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-sulfonatopropanoate IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-sulfonatopropanoate Traditional Name: (2S)-3-sulfonato-2-(tosylamino)propionate Formula: C10H11NO7S2-2 MolecularWeight: 321.32684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CS(=O)(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CS(=O)(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C10H13NO7S2/c1-7-2-4-8(5-3-7)20(17,18)11-9(10(12)13)6-19(14,15)16/h2-5,9,11H,6H2,1H3,(H,12,13)(H,14,15,16)/p-2/t9-/m1/s1