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

Systemtic Name: [(2S)-2-[(4-methylphenyl)sulfonyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]pent-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-[[(2R)-2-hydroxy-2-phenyl-ethyl]-(p-tolylsulfonyl)amino]pent-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]-(4-methylphenyl)sulfonylamino]pent-4-enyl] ester IUPAC Name: [(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]-(4-methylphenyl)sulfonylamino]pent-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-[[(2R)-2-hydroxy-2-phenyl-ethyl]-tosyl-amino]pent-4-enyl] ester Formula: C27H31NO6S2 MolecularWeight: 529.66814

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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(CC=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](CC=C)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H31NO6S2/c1-4-8-24(20-34-36(32,33)26-17-13-22(3)14-18-26)28(19-27(29)23-9-6-5-7-10-23)35(30,31)25-15-11-21(2)12-16-25/h4-7,9-18,24,27,29H,1,8,19-20H2,2-3H3/t24-,27-/m0/s1