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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C21H24N4O5S2/c1-30-20(26)17-7-5-15(6-8-17)14-24-21(27)25(18-4-3-13-31-18)19(22-24)16-9-11-23(12-10-16)32(2,28)29/h3-8,13,16H,9-12,14H2,1-2H3