3,3-dimethyl-1-[4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[6-(4-methylsulfonylanilino)-5-nitro-pyrimidin-4-yl]oxy-1-piperidyl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[[6-(4-methylsulfonylanilino)-5-nitro-4-pyrimidinyl]oxy]-1-piperidinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[6-(4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxypiperidin-1-yl]butan-1-one Traditional Name: 1-[4-[6-(4-mesylanilino)-5-nitro-pyrimidin-4-yl]oxypiperidino]-3,3-dimethyl-butan-1-one Formula: C22H29N5O6S MolecularWeight: 491.56056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)CC(=O)N1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H29N5O6S/c1-22(2,3)13-18(28)26-11-9-16(10-12-26)33-21-19(27(29)30)20(23-14-24-21)25-15-5-7-17(8-6-15)34(4,31)32/h5-8,14,16H,9-13H2,1-4H3,(H,23,24,25)