[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O5S/c1-13-16(19-22(18-13)14-6-4-3-5-7-14)17(24)27-12-15(23)20-8-10-21(11-9-20)28(2,25)26/h3-7H,8-12H2,1-2H3