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

Systemtic Name: [(2S)-2-[(4-methylphenyl)sulfonyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-[[(2R)-2-hydroxy-2-phenyl-ethyl]-(p-tolylsulfonyl)amino]-3-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]-(4-methylphenyl)sulfonylamino]-3-phenylpropyl] ester IUPAC Name: [(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]-(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-[[(2R)-2-hydroxy-2-phenyl-ethyl]-tosyl-amino]-3-phenyl-propyl] ester Formula: C31H33NO6S2 MolecularWeight: 579.72682

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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(CC3=CC=CC=C3)COS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C2=CC=CC=C2)O)[C@@H](CC3=CC=CC=C3)COS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H33NO6S2/c1-24-13-17-29(18-14-24)39(34,35)32(22-31(33)27-11-7-4-8-12-27)28(21-26-9-5-3-6-10-26)23-38-40(36,37)30-19-15-25(2)16-20-30/h3-20,28,31,33H,21-23H2,1-2H3/t28-,31-/m0/s1