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

Systemtic Name: N-(4-chlorophenyl)-2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]acetamide CAS Name: N-(4-chlorophenyl)-2-[3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[5-keto-3-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]acetamide Formula: C20H22ClN5O4S2 MolecularWeight: 496.00278

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN5O4S2/c1-32(29,30)24-10-2-4-14(12-24)19-23-25(20(28)26(19)18-5-3-11-31-18)13-17(27)22-16-8-6-15(21)7-9-16/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,22,27)