N-[3-methyl-2,5-bis(4-methylsulfonylphenyl)oxan-4-yl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-[3-methyl-2,5-bis(4-methylsulfonylphenyl)oxan-4-yl]-1,3,4-thiadiazol-2-amine Openeye Name: N-[3-methyl-2,5-bis(4-methylsulfonylphenyl)tetrahydropyran-4-yl]-1,3,4-thiadiazol-2-amine CAS Name: N-[3-methyl-2,5-bis(4-methylsulfonylphenyl)-4-oxanyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-[3-methyl-2,5-bis(4-methylsulfonylphenyl)oxan-4-yl]-1,3,4-thiadiazol-2-amine Traditional Name: [2,5-bis(4-mesylphenyl)-3-methyl-tetrahydropyran-4-yl]-(1,3,4-thiadiazol-2-yl)amine Formula: C22H25N3O5S3 MolecularWeight: 507.646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(COC1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)S(=O)(=O)C)NC4=NN=CS4

Isomeric SMILES

CC1C(C(COC1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)S(=O)(=O)C)NC4=NN=CS4

InChI

InChI=1S/C22H25N3O5S3/c1-14-20(24-22-25-23-13-31-22)19(15-4-8-17(9-5-15)32(2,26)27)12-30-21(14)16-6-10-18(11-7-16)33(3,28)29/h4-11,13-14,19-21H,12H2,1-3H3,(H,24,25)