2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-[1-(2,5-dimethylphenyl)sulfonyl-3-piperidyl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-[1-(2,5-dimethylphenyl)sulfonyl-3-piperidinyl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-[1-(2,5-dimethylphenyl)sulfonyl-3-piperidyl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O3S2/c1-15-6-7-16(2)20(13-15)30(26,27)25-12-4-5-18(14-25)22-24-23-21(29-22)17-8-10-19(28-3)11-9-17/h6-11,13,18H,4-5,12,14H2,1-3H3