4-[(2S,3S)-3-[(1R)-2-azido-1-oxidanyl-ethyl]oxiran-2-yl]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[(2S,3S)-3-[(1R)-2-azido-1-oxidanyl-ethyl]oxiran-2-yl]butyl 4-methylbenzenesulfonate Openeye Name: 4-[(2S,3S)-3-[(1R)-2-azido-1-hydroxy-ethyl]oxiran-2-yl]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[(2S,3S)-3-[(1R)-2-azido-1-hydroxyethyl]-2-oxiranyl]butyl ester IUPAC Name: 4-[(2S,3S)-3-[(1R)-2-azido-1-hydroxyethyl]oxiran-2-yl]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[(2S,3S)-3-[(1R)-2-azido-1-hydroxy-ethyl]oxiran-2-yl]butyl ester Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2C(O2)C(CN=[N+]=[N-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC[C@H]2[C@@H](O2)[C@@H](CN=[N+]=[N-])O

InChI

InChI=1S/C15H21N3O5S/c1-11-5-7-12(8-6-11)24(20,21)22-9-3-2-4-14-15(23-14)13(19)10-17-18-16/h5-8,13-15,19H,2-4,9-10H2,1H3/t13-,14+,15+/m1/s1