2-[3-[4-(4-phenylcyclohexyl)carbonylpiperazin-1-yl]quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: 2-[3-[4-(4-phenylcyclohexyl)carbonylpiperazin-1-yl]quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-[3-[4-(4-phenylcyclohexanecarbonyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile CAS Name: 2-(benzenesulfonyl)-2-[3-[4-[oxo-(4-phenylcyclohexyl)methyl]-1-piperazinyl]-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-[3-[4-(4-phenylcyclohexanecarbonyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile Traditional Name: 2-besyl-2-[3-[4-(4-phenylcyclohexanecarbonyl)piperazino]quinoxalin-2-yl]acetonitrile Formula: C33H33N5O3S MolecularWeight: 579.71182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5N=C4C(C#N)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5N=C4C(C#N)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H33N5O3S/c34-23-30(42(40,41)27-11-5-2-6-12-27)31-32(36-29-14-8-7-13-28(29)35-31)37-19-21-38(22-20-37)33(39)26-17-15-25(16-18-26)24-9-3-1-4-10-24/h1-14,25-26,30H,15-22H2