[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(6-methylpyridin-3-yl)methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(6-methylpyridin-3-yl)methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(6-methyl-3-pyridyl)methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(6-methyl-3-pyridinyl)methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(6-methylpyridin-3-yl)methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-(6-methyl-3-pyridyl)methanone Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-13-3-6-16(22(24)25)11-17(13)28(26,27)21-9-7-20(8-10-21)18(23)15-5-4-14(2)19-12-15/h3-6,11-12H,7-10H2,1-2H3