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

Systemtic Name: [(2R,3S)-2-azanyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanyl-butyl] 4-methylbenzenesulfonate hydrochloride Openeye Name: [(2R,3S)-2-amino-3-hydroxy-4-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate hydrochloride CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-amino-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] ester hydrochloride IUPAC Name: [(2R,3S)-2-amino-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate hydrochloride Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-2-amino-3-hydroxy-4-tosyloxy-butyl] ester hydrochloride Formula: C18H24ClNO7S2 MolecularWeight: 465.96866

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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.Cl

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.Cl

InChI

InChI=1S/C18H23NO7S2.ClH/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;1H/t17-,18-;/m1./s1