2-(2-fluorophenyl)-5-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(2-fluorophenyl)-5-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-(2-fluorophenyl)-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(2-fluorophenyl)-5-[1-(2-methyl-5-nitrophenyl)sulfonyl-3-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(2-fluorophenyl)-5-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-(2-fluorophenyl)-5-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C20H19FN4O4S2 MolecularWeight: 462.517663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4=CC=CC=C4F

InChI

InChI=1S/C20H19FN4O4S2/c1-13-8-9-15(25(26)27)11-18(13)31(28,29)24-10-4-5-14(12-24)19-22-23-20(30-19)16-6-2-3-7-17(16)21/h2-3,6-9,11,14H,4-5,10,12H2,1H3