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

Systemtic Name: methyl 4-[[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]methyl]benzoate CAS Name: 4-[[3-(1-methylsulfonyl-3-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-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]benzoate Traditional Name: 4-[[5-keto-3-(1-mesyl-3-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)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C21H24N4O5S2/c1-30-20(26)16-9-7-15(8-10-16)13-24-21(27)25(18-6-4-12-31-18)19(22-24)17-5-3-11-23(14-17)32(2,28)29/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3