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

Systemtic Name: (phenylmethyl) 2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]ethanoate Openeye Name: benzyl 2-[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]acetate CAS Name: 2-[3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[5-keto-3-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]acetic acid benzyl ester Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NN(C(=O)N2C3=CC=CS3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O5S2/c1-32(28,29)23-11-5-9-17(13-23)20-22-24(21(27)25(20)18-10-6-12-31-18)14-19(26)30-15-16-7-3-2-4-8-16/h2-4,6-8,10,12,17H,5,9,11,13-15H2,1H3