2-(2-fluorophenyl)-5-[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(2-fluorophenyl)-5-[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-(2-fluorophenyl)-5-[1-(2-nitrophenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(2-fluorophenyl)-5-[1-(2-nitrophenyl)sulfonyl-3-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(2-fluorophenyl)-5-[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-(2-fluorophenyl)-5-[1-(2-nitrophenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C19H17FN4O4S2 MolecularWeight: 448.491083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NN=C(S3)C4=CC=CC=C4F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NN=C(S3)C4=CC=CC=C4F

InChI

InChI=1S/C19H17FN4O4S2/c20-15-8-2-1-7-14(15)19-22-21-18(29-19)13-6-5-11-23(12-13)30(27,28)17-10-4-3-9-16(17)24(25)26/h1-4,7-10,13H,5-6,11-12H2