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

Systemtic Name: 4-[4-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2-isobutoxy-5-methylsulfonyl-benzoyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-[[2-(2-methylpropoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[2-(2-methylpropoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2-isobutoxy-5-mesyl-benzoyl)piperazino]benzonitrile Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N3O4S/c1-17(2)16-30-22-9-8-20(31(3,28)29)14-21(22)23(27)26-12-10-25(11-13-26)19-6-4-18(15-24)5-7-19/h4-9,14,17H,10-13,16H2,1-3H3