(2S,3R)-3-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-3-thiophen-3-yl-propanoic acid

Systemtic Name: (2S,3R)-3-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-3-thiophen-3-yl-propanoic acid Openeye Name: (2S,3R)-2-hydroxy-3-(p-tolylsulfonylamino)-3-(3-thienyl)propanoic acid CAS Name: (2S,3R)-2-hydroxy-3-[(4-methylphenyl)sulfonylamino]-3-(3-thiophenyl)propanoic acid IUPAC Name: (2S,3R)-2-hydroxy-3-[(4-methylphenyl)sulfonylamino]-3-thiophen-3-ylpropanoic acid Traditional Name: (2S,3R)-2-hydroxy-3-(3-thienyl)-3-(tosylamino)propionic acid Formula: C14H15NO5S2 MolecularWeight: 341.4026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5S2/c1-9-2-4-11(5-3-9)22(19,20)15-12(13(16)14(17)18)10-6-7-21-8-10/h2-8,12-13,15-16H,1H3,(H,17,18)/t12-,13+/m1/s1