4-[4-[6-oxidanylidene-4-(phenylsulfonylmethyl)oxan-2-yl]butyl]benzenecarbonitrile

Systemtic Name: 4-[4-[6-oxidanylidene-4-(phenylsulfonylmethyl)oxan-2-yl]butyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(benzenesulfonylmethyl)-6-oxo-tetrahydropyran-2-yl]butyl]benzonitrile CAS Name: 4-[4-[4-(benzenesulfonylmethyl)-6-oxo-2-oxanyl]butyl]benzonitrile IUPAC Name: 4-[4-[4-(benzenesulfonylmethyl)-6-oxooxan-2-yl]butyl]benzonitrile Traditional Name: 4-[4-[4-(besylmethyl)-6-keto-tetrahydropyran-2-yl]butyl]benzonitrile Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)OC1CCCCC2=CC=C(C=C2)C#N)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(CC(=O)OC1CCCCC2=CC=C(C=C2)C#N)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO4S/c24-16-19-12-10-18(11-13-19)6-4-5-7-21-14-20(15-23(25)28-21)17-29(26,27)22-8-2-1-3-9-22/h1-3,8-13,20-21H,4-7,14-15,17H2