(2S)-2,3-bis[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: (2S)-2,3-bis[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: (2S)-2,3-bis(p-tolylsulfonylamino)propanoic acid CAS Name: (2S)-2,3-bis[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-2,3-bis[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-2,3-bis(tosylamino)propionic acid Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H20N2O6S2/c1-12-3-7-14(8-4-12)26(22,23)18-11-16(17(20)21)19-27(24,25)15-9-5-13(2)6-10-15/h3-10,16,18-19H,11H2,1-2H3,(H,20,21)/t16-/m0/s1