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

Systemtic Name: 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-fluorophenyl)-1,3,4-thiadiazole Openeye Name: 2-[1-(4-ethoxyphenyl)sulfonyl-3-piperidyl]-5-(2-fluorophenyl)-1,3,4-thiadiazole CAS Name: 2-[1-(4-ethoxyphenyl)sulfonyl-3-piperidinyl]-5-(2-fluorophenyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-fluorophenyl)-1,3,4-thiadiazole Traditional Name: 2-(2-fluorophenyl)-5-(1-p-phenetylsulfonyl-3-piperidyl)-1,3,4-thiadiazole Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4=CC=CC=C4F

InChI

InChI=1S/C21H22FN3O3S2/c1-2-28-16-9-11-17(12-10-16)30(26,27)25-13-5-6-15(14-25)20-23-24-21(29-20)18-7-3-4-8-19(18)22/h3-4,7-12,15H,2,5-6,13-14H2,1H3