[(2S,3S)-3-azido-2-oxidanyl-4-(4-phenylthiophen-2-yl)butyl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [(2S,3S)-3-azido-2-oxidanyl-4-(4-phenylthiophen-2-yl)butyl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [(2S,3S)-3-azido-2-hydroxy-4-(4-phenyl-2-thienyl)butyl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [(2S,3S)-3-azido-2-hydroxy-4-(4-phenyl-2-thiophenyl)butyl] ester IUPAC Name: [(2S,3S)-3-azido-2-hydroxy-4-(4-phenylthiophen-2-yl)butyl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [(2S,3S)-3-azido-2-hydroxy-4-(4-phenyl-2-thienyl)butyl] ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(C(CC2=CC(=CS2)C3=CC=CC=C3)N=[N+]=[N-])O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC[C@H]([C@H](CC2=CC(=CS2)C3=CC=CC=C3)N=[N+]=[N-])O)C

InChI

InChI=1S/C23H25N3O4S2/c1-15-9-16(2)23(17(3)10-15)32(28,29)30-13-22(27)21(25-26-24)12-20-11-19(14-31-20)18-7-5-4-6-8-18/h4-11,14,21-22,27H,12-13H2,1-3H3/t21-,22+/m0/s1