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

Systemtic Name: 4-[4-[2-(cyclobutylmethoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[2-(cyclobutylmethoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[2-(cyclobutylmethoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[2-(cyclobutylmethoxy)-5-mesyl-benzoyl]piperazino]benzonitrile Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OCC2CCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OCC2CCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H27N3O4S/c1-32(29,30)21-9-10-23(31-17-19-3-2-4-19)22(15-21)24(28)27-13-11-26(12-14-27)20-7-5-18(16-25)6-8-20/h5-10,15,19H,2-4,11-14,17H2,1H3