1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone Openeye Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-(3-methyl-4-nitrophenoxy)ethanone IUPAC Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 1-[4-(4-fluorophenyl)sulfonylpiperazino]-2-(3-methyl-4-nitro-phenoxy)ethanone Formula: C19H20FN3O6S MolecularWeight: 437.442003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O6S/c1-14-12-16(4-7-18(14)23(25)26)29-13-19(24)21-8-10-22(11-9-21)30(27,28)17-5-2-15(20)3-6-17/h2-7,12H,8-11,13H2,1H3