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

Systemtic Name: 2-cyclopentyl-5-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-cyclopentyl-5-[1-(2,4-dimethylphenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole CAS Name: 2-cyclopentyl-5-[1-(2,4-dimethylphenyl)sulfonyl-3-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-cyclopentyl-5-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-cyclopentyl-5-[1-(2,4-dimethylphenyl)sulfonyl-3-piperidyl]-1,3,4-thiadiazole Formula: C20H27N3O2S2 MolecularWeight: 405.57728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C4CCCC4)C

InChI

InChI=1S/C20H27N3O2S2/c1-14-9-10-18(15(2)12-14)27(24,25)23-11-5-8-17(13-23)20-22-21-19(26-20)16-6-3-4-7-16/h9-10,12,16-17H,3-8,11,13H2,1-2H3