1-(2-methoxyquinolin-3-yl)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethanone

Systemtic Name: 1-(2-methoxyquinolin-3-yl)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethanone Openeye Name: 1-(2-methoxy-3-quinolyl)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethanone CAS Name: 1-(2-methoxy-3-quinolinyl)-2-[5-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-nitrophenyl]ethanone IUPAC Name: 1-(2-methoxyquinolin-3-yl)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitrophenyl]ethanone Traditional Name: 2-[5-[(4-mesylpiperazino)methyl]-2-nitro-phenyl]-1-(2-methoxy-3-quinolyl)ethanone Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C=C1C(=O)CC3=C(C=CC(=C3)CN4CCN(CC4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=NC2=CC=CC=C2C=C1C(=O)CC3=C(C=CC(=C3)CN4CCN(CC4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O6S/c1-34-24-20(14-18-5-3-4-6-21(18)25-24)23(29)15-19-13-17(7-8-22(19)28(30)31)16-26-9-11-27(12-10-26)35(2,32)33/h3-8,13-14H,9-12,15-16H2,1-2H3