2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]acetamide CAS Name: 2-[3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide Traditional Name: N-benzyl-2-[5-keto-3-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]acetamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O4S2/c1-32(29,30)24-11-5-9-17(14-24)20-23-25(21(28)26(20)19-10-6-12-31-19)15-18(27)22-13-16-7-3-2-4-8-16/h2-4,6-8,10,12,17H,5,9,11,13-15H2,1H3,(H,22,27)