[3-nitro-4-(oxolan-2-ylmethylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-nitro-4-(oxolan-2-ylmethylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-nitro-4-(tetrahydrofuran-2-ylmethylsulfonyl)phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [3-nitro-4-(2-oxolanylmethylsulfonyl)phenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [3-nitro-4-(oxolan-2-ylmethylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-nitro-4-(tetrahydrofurfurylsulfonyl)phenyl]-[4-(2-pyridyl)piperazino]methanone Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c26-21(24-11-9-23(10-12-24)20-5-1-2-8-22-20)16-6-7-19(18(14-16)25(27)28)32(29,30)15-17-4-3-13-31-17/h1-2,5-8,14,17H,3-4,9-13,15H2