4-[2-fluoranyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-nitro-phenyl]morpholine

Systemtic Name: 4-[2-fluoranyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-nitro-phenyl]morpholine Openeye Name: 4-[2-fluoro-4-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]morpholine CAS Name: 4-[2-fluoro-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-nitrophenyl]morpholine IUPAC Name: 4-[2-fluoro-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-nitrophenyl]morpholine Traditional Name: 4-[2-fluoro-4-nitro-5-(4-tosylpiperazino)phenyl]morpholine Formula: C21H25FN4O5S MolecularWeight: 464.510403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3[N+](=O)[O-])F)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3[N+](=O)[O-])F)N4CCOCC4

InChI

InChI=1S/C21H25FN4O5S/c1-16-2-4-17(5-3-16)32(29,30)25-8-6-23(7-9-25)20-15-19(24-10-12-31-13-11-24)18(22)14-21(20)26(27)28/h2-5,14-15H,6-13H2,1H3