[4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidin-1-yl]-pyridin-2-yl-methanone

Systemtic Name: [4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidin-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-[6-(4-methylsulfonylanilino)-5-nitro-pyrimidin-4-yl]oxy-1-piperidyl]-(2-pyridyl)methanone CAS Name: [4-[[6-(4-methylsulfonylanilino)-5-nitro-4-pyrimidinyl]oxy]-1-piperidinyl]-(2-pyridinyl)methanone IUPAC Name: [4-[6-(4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxypiperidin-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-[6-(4-mesylanilino)-5-nitro-pyrimidin-4-yl]oxypiperidino]-(2-pyridyl)methanone Formula: C22H22N6O6S MolecularWeight: 498.51168

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O6S/c1-35(32,33)17-7-5-15(6-8-17)26-20-19(28(30)31)21(25-14-24-20)34-16-9-12-27(13-10-16)22(29)18-4-2-3-11-23-18/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,24,25,26)