4-[4-[(2R,4R)-4-(methylsulfonylmethyl)-6-oxidanylidene-oxan-2-yl]butyl]benzenecarbonitrile

Systemtic Name: 4-[4-[(2R,4R)-4-(methylsulfonylmethyl)-6-oxidanylidene-oxan-2-yl]butyl]benzenecarbonitrile Openeye Name: 4-[4-[(2R,4R)-4-(methylsulfonylmethyl)-6-oxo-tetrahydropyran-2-yl]butyl]benzonitrile CAS Name: 4-[4-[(2R,4R)-4-(methylsulfonylmethyl)-6-oxo-2-oxanyl]butyl]benzonitrile IUPAC Name: 4-[4-[(2R,4R)-4-(methylsulfonylmethyl)-6-oxooxan-2-yl]butyl]benzonitrile Traditional Name: 4-[4-[(2R,4R)-6-keto-4-(mesylmethyl)tetrahydropyran-2-yl]butyl]benzonitrile Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1CC(OC(=O)C1)CCCCC2=CC=C(C=C2)C#N

Isomeric SMILES

CS(=O)(=O)C[C@@H]1C[C@H](OC(=O)C1)CCCCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H23NO4S/c1-24(21,22)13-16-10-17(23-18(20)11-16)5-3-2-4-14-6-8-15(12-19)9-7-14/h6-9,16-17H,2-5,10-11,13H2,1H3/t16-,17-/m1/s1