(3-fluoranyl-4-methoxy-phenyl)-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-fluoro-4-methoxy-phenyl)-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-fluoro-4-methoxyphenyl)-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-fluoro-4-methoxy-phenyl)-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C19H20FN3O6S MolecularWeight: 437.442003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O6S/c1-13-3-5-15(12-17(13)23(25)26)30(27,28)22-9-7-21(8-10-22)19(24)14-4-6-18(29-2)16(20)11-14/h3-6,11-12H,7-10H2,1-2H3