(4-methyl-3-nitro-phenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[4-(4-methylpiperazino)sulfonylpiperazino]methanone Formula: C17H25N5O5S MolecularWeight: 411.4759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O5S/c1-14-3-4-15(13-16(14)22(24)25)17(23)19-7-11-21(12-8-19)28(26,27)20-9-5-18(2)6-10-20/h3-4,13H,5-12H2,1-2H3