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

Systemtic Name: (2,6-dimethylquinolin-3-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (2,6-dimethyl-3-quinolyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (2,6-dimethyl-3-quinolinyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2,6-dimethylquinolin-3-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (2,6-dimethyl-3-quinolyl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O5S/c1-15-4-6-20-17(12-15)13-19(16(2)24-20)23(28)26-10-8-25(9-11-26)21-7-5-18(33(3,31)32)14-22(21)27(29)30/h4-7,12-14H,8-11H2,1-3H3