4-[4-[2-oxidanylidene-4-(phenylsulfonylmethyl)oxan-3-yl]butyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-oxidanylidene-4-(phenylsulfonylmethyl)oxan-3-yl]butyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(benzenesulfonylmethyl)-2-oxo-tetrahydropyran-3-yl]butyl]benzonitrile CAS Name: 4-[4-[4-(benzenesulfonylmethyl)-2-oxo-3-oxanyl]butyl]benzonitrile IUPAC Name: 4-[4-[4-(benzenesulfonylmethyl)-2-oxooxan-3-yl]butyl]benzonitrile Traditional Name: 4-[4-[4-(besylmethyl)-2-keto-tetrahydropyran-3-yl]butyl]benzonitrile Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C(C1CS(=O)(=O)C2=CC=CC=C2)CCCCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COC(=O)C(C1CS(=O)(=O)C2=CC=CC=C2)CCCCC3=CC=C(C=C3)C#N

InChI

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