ethyl 4-[2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-methyl-3-(1-methylsulfonyl-4-piperidyl)-5-oxo-1,2,4-triazol-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-methyl-3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[5-keto-3-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-1-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H30N6O6S MolecularWeight: 458.5324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C18H30N6O6S/c1-4-30-18(27)22-11-9-21(10-12-22)15(25)13-24-17(26)20(2)16(19-24)14-5-7-23(8-6-14)31(3,28)29/h14H,4-13H2,1-3H3