1-[6-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane

Systemtic Name: 1-[6-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane Openeye Name: 1-[6-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane CAS Name: 1-[6-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]-3-pyridazinyl]azepane IUPAC Name: 1-[6-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane Traditional Name: 1-[6-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazino]pyridazin-3-yl]azepane Formula: C21H28N6O4S MolecularWeight: 460.54982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O4S/c1-17-6-7-18(16-19(17)27(28)29)32(30,31)26-14-12-25(13-15-26)21-9-8-20(22-23-21)24-10-4-2-3-5-11-24/h6-9,16H,2-5,10-15H2,1H3