4-[4-(5-methylsulfonyl-2-piperidin-1-yl-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-methylsulfonyl-2-piperidin-1-yl-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[5-methylsulfonyl-2-(1-piperidyl)benzoyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[[5-methylsulfonyl-2-(1-piperidinyl)phenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(5-methylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(5-mesyl-2-piperidino-benzoyl)piperazino]benzonitrile Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H28N4O3S/c1-32(30,31)21-9-10-23(27-11-3-2-4-12-27)22(17-21)24(29)28-15-13-26(14-16-28)20-7-5-19(18-25)6-8-20/h5-10,17H,2-4,11-16H2,1H3