[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-(4-nitro-3-oxidanyl-phenyl)methanone

Systemtic Name: [4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-(4-nitro-3-oxidanyl-phenyl)methanone Openeye Name: (3-hydroxy-4-nitro-phenyl)-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]methanone CAS Name: (3-hydroxy-4-nitrophenyl)-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (3-hydroxy-4-nitrophenyl)-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone Traditional Name: (3-hydroxy-4-nitro-phenyl)-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]methanone Formula: C20H23N5O7S MolecularWeight: 477.49092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)C4=CC(=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)C4=CC(=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H23N5O7S/c26-18-13-15(1-3-17(18)25(28)29)20(27)23-7-5-22(6-8-23)19-4-2-16(14-21-19)33(30,31)24-9-11-32-12-10-24/h1-4,13-14,26H,5-12H2