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

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C17H17BrN4O5S MolecularWeight: 469.30968

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=CC(=CN=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN4O5S/c1-12-2-3-15(22(24)25)9-16(12)28(26,27)21-6-4-20(5-7-21)17(23)13-8-14(18)11-19-10-13/h2-3,8-11H,4-7H2,1H3