[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-[2-(methylthio)-3-pyridyl]methanone Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S2/c1-13-5-6-14(22(24)25)12-16(13)29(26,27)21-10-8-20(9-11-21)18(23)15-4-3-7-19-17(15)28-2/h3-7,12H,8-11H2,1-2H3