(2S,3R,4R)-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentane-1,1-dicarbonitrile

Systemtic Name: (2S,3R,4R)-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentane-1,1-dicarbonitrile Openeye Name: (2S,3R,4R)-3-benzyloxy-2-(benzyloxymethyl)-4-(p-tolylsulfonyl)cyclopentane-1,1-dicarbonitrile CAS Name: (2S,3R,4R)-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentane-1,1-dicarbonitrile IUPAC Name: (2S,3R,4R)-4-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentane-1,1-dicarbonitrile Traditional Name: (2S,3R,4R)-3-benzoxy-2-(benzoxymethyl)-4-tosyl-cyclopentane-1,1-dicarbonitrile Formula: C29H28N2O4S MolecularWeight: 500.60862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CC(C(C2OCC3=CC=CC=C3)COCC4=CC=CC=C4)(C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O4S/c1-22-12-14-25(15-13-22)36(32,33)27-16-29(20-30,21-31)26(19-34-17-23-8-4-2-5-9-23)28(27)35-18-24-10-6-3-7-11-24/h2-15,26-28H,16-19H2,1H3/t26-,27+,28+/m0/s1