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

Systemtic Name: [(2S)-2-[(4-methylphenyl)sulfonyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-[[(2R)-2-hydroxy-2-phenyl-ethyl]-(p-tolylsulfonyl)amino]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]-(4-methylphenyl)sulfonylamino]propyl] ester IUPAC Name: [(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]-(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-[[(2R)-2-hydroxy-2-phenyl-ethyl]-tosyl-amino]propyl] ester Formula: C25H29NO6S2 MolecularWeight: 503.63086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C2=CC=CC=C2)O)C(C)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C2=CC=CC=C2)O)[C@@H](C)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H29NO6S2/c1-19-9-13-23(14-10-19)33(28,29)26(17-25(27)22-7-5-4-6-8-22)21(3)18-32-34(30,31)24-15-11-20(2)12-16-24/h4-16,21,25,27H,17-18H2,1-3H3/t21-,25-/m0/s1