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

Systemtic Name: (2S,3R,4R)-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine Openeye Name: (2S,3R,4R)-3-benzyloxy-2-(benzyloxymethyl)-4-(p-tolylsulfonyl)pyrrolidine CAS Name: (2S,3R,4R)-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine IUPAC Name: (2S,3R,4R)-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine Traditional Name: (2S,3R,4R)-3-benzoxy-2-(benzoxymethyl)-4-tosyl-pyrrolidine Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CNC(C2OCC3=CC=CC=C3)COCC4=CC=CC=C4

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

InChI

InChI=1S/C26H29NO4S/c1-20-12-14-23(15-13-20)32(28,29)25-16-27-24(19-30-17-21-8-4-2-5-9-21)26(25)31-18-22-10-6-3-7-11-22/h2-15,24-27H,16-19H2,1H3/t24-,25+,26+/m0/s1