2-(4-methylquinolin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-1-(4-nosylpiperazino)ethanone Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S2/c1-16-14-21(23-20-5-3-2-4-19(16)20)32-15-22(27)24-10-12-25(13-11-24)33(30,31)18-8-6-17(7-9-18)26(28)29/h2-9,14H,10-13,15H2,1H3