4-[[4-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-chloro-5-(1-piperidylsulfonyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-chloro-5-piperidinosulfonyl-benzoyl)piperazino]methyl]benzonitrile Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H27ClN4O3S/c25-23-9-8-21(33(31,32)29-10-2-1-3-11-29)16-22(23)24(30)28-14-12-27(13-15-28)18-20-6-4-19(17-26)5-7-20/h4-9,16H,1-3,10-15,18H2