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

Systemtic Name: [(2S,3S)-3-azido-2-oxidanyl-4-thiophen-2-yl-butyl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [(2S,3S)-3-azido-2-hydroxy-4-(2-thienyl)butyl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [(2S,3S)-3-azido-2-hydroxy-4-thiophen-2-ylbutyl] ester IUPAC Name: [(2S,3S)-3-azido-2-hydroxy-4-thiophen-2-ylbutyl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [(2S,3S)-3-azido-2-hydroxy-4-(2-thienyl)butyl] ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S2/c1-11-7-12(2)17(13(3)8-11)26(22,23)24-10-16(21)15(19-20-18)9-14-5-4-6-25-14/h4-8,15-16,21H,9-10H2,1-3H3/t15-,16+/m0/s1