2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(4-phenylbutyl)-1,3,4-thiadiazole

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(4-phenylbutyl)-1,3,4-thiadiazole Openeye Name: 2-(4-phenylbutyl)-5-[1-(p-tolylsulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole CAS Name: 2-[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-5-(4-phenylbutyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(4-phenylbutyl)-1,3,4-thiadiazole Traditional Name: 2-(4-phenylbutyl)-5-(1-tosylpyrrolidin-2-yl)-1,3,4-thiadiazole Formula: C23H27N3O2S2 MolecularWeight: 441.60938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=NN=C(S3)CCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=NN=C(S3)CCCCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S2/c1-18-13-15-20(16-14-18)30(27,28)26-17-7-11-21(26)23-25-24-22(29-23)12-6-5-10-19-8-3-2-4-9-19/h2-4,8-9,13-16,21H,5-7,10-12,17H2,1H3