4-[4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-3-nitro-phenyl]sulfonylmorpholine Formula: C22H27FN4O6S MolecularWeight: 494.536383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])F

InChI

InChI=1S/C22H27FN4O6S/c1-32-22-5-2-17(14-19(22)23)16-24-6-8-25(9-7-24)20-4-3-18(15-21(20)27(28)29)34(30,31)26-10-12-33-13-11-26/h2-5,14-15H,6-13,16H2,1H3