3-[4-[4-[6-(dimethylamino)pyridin-3-yl]phenoxy]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[4-[6-(dimethylamino)pyridin-3-yl]phenoxy]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-[4-[6-(dimethylamino)-3-pyridyl]phenoxy]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[4-[6-(dimethylamino)pyridin-3-yl]phenoxy]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[4-[6-(dimethylamino)-3-pyridyl]phenoxy]piperidino]sulfonylbenzonitrile Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3S/c1-28(2)25-11-8-21(18-27-25)20-6-9-22(10-7-20)32-23-12-14-29(15-13-23)33(30,31)24-5-3-4-19(16-24)17-26/h3-11,16,18,23H,12-15H2,1-2H3