4-[[4-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(2-thienylsulfonyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(2-thienylsulfonyl)nipecotoyl]piperazino]methyl]benzonitrile Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H26N4O3S2/c23-15-18-5-7-19(8-6-18)16-24-10-12-25(13-11-24)22(27)20-3-1-9-26(17-20)31(28,29)21-4-2-14-30-21/h2,4-8,14,20H,1,3,9-13,16-17H2