3-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-[4-[4-(methoxymethyl)phenyl]phenoxy]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-[4-[4-(methoxymethyl)phenyl]phenoxy]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidino]sulfonylbenzonitrile Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)C2=CC=C(C=C2)OC3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COCC1=CC=C(C=C1)C2=CC=C(C=C2)OC3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H26N2O4S/c1-31-19-20-5-7-22(8-6-20)23-9-11-24(12-10-23)32-25-13-15-28(16-14-25)33(29,30)26-4-2-3-21(17-26)18-27/h2-12,17,25H,13-16,19H2,1H3