5-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H25N3O3S2/c1-21(2,3)16-8-10-17(11-9-16)29(25,26)24-12-4-6-15(14-24)20-22-19(23-27-20)18-7-5-13-28-18/h5,7-11,13,15H,4,6,12,14H2,1-3H3