[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone

Systemtic Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Openeye Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone CAS Name: [4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-[3-(2-pyrimidinylamino)phenyl]methanone IUPAC Name: [4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Traditional Name: [4-(4-mesyl-2-nitro-phenyl)piperazino]-[3-(2-pyrimidylamino)phenyl]methanone Formula: C22H22N6O5S MolecularWeight: 482.51228

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O5S/c1-34(32,33)18-6-7-19(20(15-18)28(30)31)26-10-12-27(13-11-26)21(29)16-4-2-5-17(14-16)25-22-23-8-3-9-24-22/h2-9,14-15H,10-13H2,1H3,(H,23,24,25)