2-nitro-N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]benzenesulfonamide Openeye Name: 2-nitro-N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide CAS Name: 2-nitro-N-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]cyclohexyl]methyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide Traditional Name: 2-nitro-N-[[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzenesulfonamide Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H28N6O5S/c29-21(26-12-14-27(15-13-26)22-23-10-3-11-24-22)18-8-6-17(7-9-18)16-25-34(32,33)20-5-2-1-4-19(20)28(30)31/h1-5,10-11,17-18,25H,6-9,12-16H2