[(2R)-3-[ethyl-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3-[ethyl-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-3-[ethyl(p-tolylsulfonyl)amino]-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-3-[ethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropyl] ester IUPAC Name: [(2R)-3-[ethyl-(4-methylphenyl)sulfonylamino]-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-3-[ethyl(tosyl)amino]-2-hydroxy-propyl] ester Formula: C19H25NO6S2 MolecularWeight: 427.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(COS(=O)(=O)C1=CC=C(C=C1)C)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCN(C[C@H](COS(=O)(=O)C1=CC=C(C=C1)C)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H25NO6S2/c1-4-20(27(22,23)18-9-5-15(2)6-10-18)13-17(21)14-26-28(24,25)19-11-7-16(3)8-12-19/h5-12,17,21H,4,13-14H2,1-3H3/t17-/m1/s1