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

Systemtic Name: 4-[4-(2-cyclohexyloxy-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[2-(cyclohexoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[(2-cyclohexyloxy-5-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(2-cyclohexyloxy-5-methylsulfonylbenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[2-(cyclohexoxy)-5-mesyl-benzoyl]piperazino]benzonitrile Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2CCCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2CCCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H29N3O4S/c1-33(30,31)22-11-12-24(32-21-5-3-2-4-6-21)23(17-22)25(29)28-15-13-27(14-16-28)20-9-7-19(18-26)8-10-20/h7-12,17,21H,2-6,13-16H2,1H3