[1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazol-3-yl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazol-3-yl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C19H18FN5O6S2 MolecularWeight: 495.504523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H18FN5O6S2/c20-14-3-4-16(25(27)28)17(12-14)31-13-23-6-5-15(21-23)19(26)22-7-9-24(10-8-22)33(29,30)18-2-1-11-32-18/h1-6,11-12H,7-10,13H2