3-[[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-methylsulfonylpiperazin-1-yl)-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(4-mesylpiperazino)piperidino]methyl]benzonitrile Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2CCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2CCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H26N4O2S/c1-25(23,24)22-11-9-21(10-12-22)18-5-7-20(8-6-18)15-17-4-2-3-16(13-17)14-19/h2-4,13,18H,5-12,15H2,1H3