2-(4-fluoranylphenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-fluoranylphenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-fluorophenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(4-fluorophenoxy)-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-fluorophenoxy)-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(4-fluorophenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C20H22FN3O7S MolecularWeight: 467.467983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])OC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])OC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O7S/c1-14(31-16-5-3-15(21)4-6-16)20(25)22-9-11-23(12-10-22)32(28,29)17-7-8-19(30-2)18(13-17)24(26)27/h3-8,13-14H,9-12H2,1-2H3