[(2R)-2-methyl-3-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-methyl-3-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-hydroxy-2-methyl-3-[prop-2-ynyl(p-tolylsulfonyl)amino]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-2-methyl-3-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]propyl] ester IUPAC Name: [(2R)-2-hydroxy-2-methyl-3-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-2-methyl-3-[propargyl(tosyl)amino]propyl] ester Formula: C21H25NO6S2 MolecularWeight: 451.5563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S2/c1-5-14-22(29(24,25)19-10-6-17(2)7-11-19)15-21(4,23)16-28-30(26,27)20-12-8-18(3)9-13-20/h1,6-13,23H,14-16H2,2-4H3/t21-/m1/s1