4-[5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-[3-(1-piperidyl)pyrrolidin-1-yl]sulfonyl-2-pyridyl]benzonitrile CAS Name: 4-[5-[[3-(1-piperidinyl)-1-pyrrolidinyl]sulfonyl]-2-pyridinyl]benzonitrile IUPAC Name: 4-[5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridin-2-yl]benzonitrile Traditional Name: 4-[5-(3-piperidinopyrrolidino)sulfonyl-2-pyridyl]benzonitrile Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(C2)S(=O)(=O)C3=CN=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)C2CCN(C2)S(=O)(=O)C3=CN=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H24N4O2S/c22-14-17-4-6-18(7-5-17)21-9-8-20(15-23-21)28(26,27)25-13-10-19(16-25)24-11-2-1-3-12-24/h4-9,15,19H,1-3,10-13,16H2