[(1R,2S)-1-phenyl-2-[(phenylmethyl)-(2,4,6-trimethylphenyl)sulfonyl-amino]propyl] (2R,3S)-2-methyl-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: [(1R,2S)-1-phenyl-2-[(phenylmethyl)-(2,4,6-trimethylphenyl)sulfonyl-amino]propyl] (2R,3S)-2-methyl-3-oxidanyl-3-phenyl-propanoate Openeye Name: [(1R,2S)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-1-phenyl-propyl] (2R,3S)-3-hydroxy-2-methyl-3-phenyl-propanoate CAS Name: (2R,3S)-3-hydroxy-2-methyl-3-phenylpropanoic acid [(1R,2S)-1-phenyl-2-[(phenylmethyl)-(2,4,6-trimethylphenyl)sulfonylamino]propyl] ester IUPAC Name: [(1R,2S)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] (2R,3S)-3-hydroxy-2-methyl-3-phenylpropanoate Traditional Name: (2R,3S)-3-hydroxy-2-methyl-3-phenyl-propionic acid [(1R,2S)-2-[benzyl(mesitylsulfonyl)amino]-1-phenyl-propyl] ester Formula: C35H39NO5S MolecularWeight: 585.75286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)OC(=O)C(C)C(C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)[C@@H](C)[C@@H](C3=CC=CC=C3)OC(=O)[C@H](C)[C@@H](C4=CC=CC=C4)O)C

InChI

InChI=1S/C35H39NO5S/c1-24-21-25(2)34(26(3)22-24)42(39,40)36(23-29-15-9-6-10-16-29)28(5)33(31-19-13-8-14-20-31)41-35(38)27(4)32(37)30-17-11-7-12-18-30/h6-22,27-28,32-33,37H,23H2,1-5H3/t27-,28+,32+,33+/m1/s1