2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole

Systemtic Name: 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole Openeye Name: 2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidyl]-5-(2-furyl)-1,3,4-thiadiazole CAS Name: 2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-5-(2-furanyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole Traditional Name: 2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidyl]-5-(2-furyl)-1,3,4-thiadiazole Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)C4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NN=C(S3)C4=CC=CO4

InChI

InChI=1S/C21H25N3O3S2/c1-21(2,3)16-6-8-17(9-7-16)29(25,26)24-12-10-15(11-13-24)19-22-23-20(28-19)18-5-4-14-27-18/h4-9,14-15H,10-13H2,1-3H3