4-[4-[1-[2-(4-chloranylphenoxy)ethyl]piperidin-4-yl]sulfonylphenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[1-[2-(4-chloranylphenoxy)ethyl]piperidin-4-yl]sulfonylphenyl]benzenecarbonitrile Openeye Name: 4-[4-[[1-[2-(4-chlorophenoxy)ethyl]-4-piperidyl]sulfonyl]phenyl]benzonitrile CAS Name: 4-[4-[[1-[2-(4-chlorophenoxy)ethyl]-4-piperidinyl]sulfonyl]phenyl]benzonitrile IUPAC Name: 4-[4-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]sulfonylphenyl]benzonitrile Traditional Name: 4-[4-[[1-[2-(4-chlorophenoxy)ethyl]-4-piperidyl]sulfonyl]phenyl]benzonitrile Formula: C26H25ClN2O3S MolecularWeight: 481.0063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)CCOC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)CCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN2O3S/c27-23-7-9-24(10-8-23)32-18-17-29-15-13-26(14-16-29)33(30,31)25-11-5-22(6-12-25)21-3-1-20(19-28)2-4-21/h1-12,26H,13-18H2