(2,3-dimethylquinoxalin-6-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (2,3-dimethylquinoxalin-6-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (2,3-dimethylquinoxalin-6-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (2,3-dimethyl-6-quinoxalinyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2,3-dimethylquinoxalin-6-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (2,3-dimethylquinoxalin-6-yl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C22H23N5O5S MolecularWeight: 469.51352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-])N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-])N=C1C

InChI

InChI=1S/C22H23N5O5S/c1-14-15(2)24-19-12-16(4-6-18(19)23-14)22(28)26-10-8-25(9-11-26)20-7-5-17(33(3,31)32)13-21(20)27(29)30/h4-7,12-13H,8-11H2,1-3H3