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

Systemtic Name: methyl 4-[2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-methyl-3-(1-methylsulfonyl-3-piperidyl)-5-oxo-1,2,4-triazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-methyl-3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-1,2,4-triazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-keto-3-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C19H25N5O6S MolecularWeight: 451.4967

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C19H25N5O6S/c1-22-17(14-5-4-10-23(11-14)31(3,28)29)21-24(19(22)27)12-16(25)20-15-8-6-13(7-9-15)18(26)30-2/h6-9,14H,4-5,10-12H2,1-3H3,(H,20,25)