[(2S,3S)-2-azanyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-azanyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-2-amino-3-hydroxy-4-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-amino-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] ester IUPAC Name: [(2S,3S)-2-amino-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-amino-3-hydroxy-4-tosyloxy-butyl] ester Formula: C18H23NO7S2 MolecularWeight: 429.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(COS(=O)(=O)C2=CC=C(C=C2)C)O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO7S2/c1-13-3-7-15(8-4-13)27(21,22)25-11-17(19)18(20)12-26-28(23,24)16-9-5-14(2)6-10-16/h3-10,17-18,20H,11-12,19H2,1-2H3/t17-,18+/m0/s1