(3-methyl-2-nitro-phenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methyl-2-nitro-phenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-methyl-2-nitro-phenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-methyl-2-nitrophenyl)-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: (3-methyl-2-nitrophenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-methyl-2-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=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

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

InChI

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