[4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[6-(4-methylsulfonylanilino)-5-nitro-pyrimidin-4-yl]oxy-1-piperidyl]-(3-pyridyl)methanone CAS Name: [4-[[6-(4-methylsulfonylanilino)-5-nitro-4-pyrimidinyl]oxy]-1-piperidinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[6-(4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxypiperidin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[6-(4-mesylanilino)-5-nitro-pyrimidin-4-yl]oxypiperidino]-(3-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=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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