2-[2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one

Systemtic Name: 2-[2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one Openeye Name: 2-[2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenyl-pyridazin-3-one CAS Name: 2-[2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethyl]-6-phenyl-3-pyridazinone IUPAC Name: 2-[2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one Traditional Name: 2-[2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethyl]-6-phenyl-pyridazin-3-one Formula: C23H25N5O5S MolecularWeight: 483.5401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O5S/c1-18-7-8-20(28(30)31)17-22(18)34(32,33)26-14-11-25(12-15-26)13-16-27-23(29)10-9-21(24-27)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3