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

Systemtic Name: (2S,3S)-2,3-bis[(4-methylphenyl)sulfonylamino]butanedioic acid Openeye Name: (2S,3S)-2,3-bis(p-tolylsulfonylamino)butanedioic acid CAS Name: (2S,3S)-2,3-bis[(4-methylphenyl)sulfonylamino]butanedioic acid IUPAC Name: (2S,3S)-2,3-bis[(4-methylphenyl)sulfonylamino]butanedioic acid Traditional Name: (2S,3S)-2,3-bis(tosylamino)succinic acid Formula: C18H20N2O8S2 MolecularWeight: 456.49

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O8S2/c1-11-3-7-13(8-4-11)29(25,26)19-15(17(21)22)16(18(23)24)20-30(27,28)14-9-5-12(2)6-10-14/h3-10,15-16,19-20H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m0/s1