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

Systemtic Name: ethyl 4-[2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-methyl-3-(1-methylsulfonyl-4-piperidyl)-5-oxo-1,2,4-triazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-methyl-3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-keto-3-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C20H27N5O6S MolecularWeight: 465.52328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C20H27N5O6S/c1-4-31-19(27)15-5-7-16(8-6-15)21-17(26)13-25-20(28)23(2)18(22-25)14-9-11-24(12-10-14)32(3,29)30/h5-8,14H,4,9-13H2,1-3H3,(H,21,26)