3-[[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(2-thienylsulfonyl)piperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(2-thienylsulfonyl)piperazino]piperidino]methyl]benzonitrile Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CS3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CS3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H26N4O2S2/c22-16-18-3-1-4-19(15-18)17-23-8-6-20(7-9-23)24-10-12-25(13-11-24)29(26,27)21-5-2-14-28-21/h1-5,14-15,20H,6-13,17H2