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

Systemtic Name: 2-methoxy-5-[4-(5-methylsulfonyl-2-morpholin-4-yl-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-methoxy-5-[4-(5-methylsulfonyl-2-morpholino-benzoyl)piperazin-1-yl]benzonitrile CAS Name: 2-methoxy-5-[4-[[5-methylsulfonyl-2-(4-morpholinyl)phenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-methoxy-5-[4-(5-methylsulfonyl-2-morpholin-4-ylbenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 5-[4-(5-mesyl-2-morpholino-benzoyl)piperazino]-2-methoxy-benzonitrile Formula: C24H28N4O5S MolecularWeight: 484.56792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N4CCOCC4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N4CCOCC4)C#N

InChI

InChI=1S/C24H28N4O5S/c1-32-23-6-3-19(15-18(23)17-25)26-7-9-28(10-8-26)24(29)21-16-20(34(2,30)31)4-5-22(21)27-11-13-33-14-12-27/h3-6,15-16H,7-14H2,1-2H3