2-methyl-1-[4-[3-(4-methylsulfonylpiperazin-1-yl)-4-nitro-phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[3-(4-methylsulfonylpiperazin-1-yl)-4-nitro-phenyl]piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[3-(4-methylsulfonylpiperazin-1-yl)-4-nitro-phenyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[3-(4-methylsulfonyl-1-piperazinyl)-4-nitrophenyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[3-(4-methylsulfonylpiperazin-1-yl)-4-nitrophenyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[3-(4-mesylpiperazino)-4-nitro-phenyl]piperazino]-2-methyl-propan-1-one Formula: C19H29N5O5S MolecularWeight: 439.52906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H29N5O5S/c1-15(2)19(25)22-8-6-20(7-9-22)16-4-5-17(24(26)27)18(14-16)21-10-12-23(13-11-21)30(3,28)29/h4-5,14-15H,6-13H2,1-3H3