(2S,3R,4R)-1-methyl-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine

Systemtic Name: (2S,3R,4R)-1-methyl-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine Openeye Name: (2S,3R,4R)-3-benzyloxy-2-(benzyloxymethyl)-1-methyl-4-(p-tolylsulfonyl)pyrrolidine CAS Name: (2S,3R,4R)-1-methyl-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine IUPAC Name: (2S,3R,4R)-1-methyl-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine Traditional Name: (2S,3R,4R)-3-benzoxy-2-(benzoxymethyl)-1-methyl-4-tosyl-pyrrolidine Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CN(C(C2OCC3=CC=CC=C3)COCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2CN([C@H]([C@H]2OCC3=CC=CC=C3)COCC4=CC=CC=C4)C

InChI

InChI=1S/C27H31NO4S/c1-21-13-15-24(16-14-21)33(29,30)26-17-28(2)25(20-31-18-22-9-5-3-6-10-22)27(26)32-19-23-11-7-4-8-12-23/h3-16,25-27H,17-20H2,1-2H3/t25-,26+,27+/m0/s1