4-[[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazino]methyl]benzonitrile Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H25N5O2S/c22-15-18-3-5-19(6-4-18)17-24-11-13-25(14-12-24)21-8-7-20(16-23-21)29(27,28)26-9-1-2-10-26/h3-8,16H,1-2,9-14,17H2