1-(4-fluorophenyl)-2-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanol

Systemtic Name: 1-(4-fluorophenyl)-2-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanol Openeye Name: 1-(4-fluorophenyl)-2-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanol CAS Name: 1-(4-fluorophenyl)-2-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazinyl]ethanol IUPAC Name: 1-(4-fluorophenyl)-2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanol Traditional Name: 1-(4-fluorophenyl)-2-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazino]ethanol Formula: C22H27FN4O6S MolecularWeight: 494.536383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C2=CC=C(C=C2)F)O)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(C2=CC=C(C=C2)F)O)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H27FN4O6S/c23-18-3-1-17(2-4-18)22(28)16-24-7-9-25(10-8-24)20-6-5-19(15-21(20)27(29)30)34(31,32)26-11-13-33-14-12-26/h1-6,15,22,28H,7-14,16H2