(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (2-fluoro-5-morpholinosulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-fluoro-5-(4-morpholinylsulfonyl)phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (2-fluoro-5-morpholinosulfonyl-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H23FN4O6S MolecularWeight: 478.493923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

InChI

InChI=1S/C21H23FN4O6S/c22-20-6-5-18(33(30,31)25-11-13-32-14-12-25)15-19(20)21(27)24-9-7-23(8-10-24)16-1-3-17(4-2-16)26(28)29/h1-6,15H,7-14H2