dimethyl 1-[1-(3-sulfamoylphenyl)sulfonylpiperidin-4-yl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[1-(3-sulfamoylphenyl)sulfonylpiperidin-4-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[1-(3-sulfamoylphenyl)sulfonyl-4-piperidyl]triazole-4,5-dicarboxylate CAS Name: 1-[1-(3-sulfamoylphenyl)sulfonyl-4-piperidinyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[1-(3-sulfamoylphenyl)sulfonylpiperidin-4-yl]triazole-4,5-dicarboxylate Traditional Name: 1-[1-(3-sulfamoylphenyl)sulfonyl-4-piperidyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C17H21N5O8S2 MolecularWeight: 487.50734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N)C(=O)OC

InChI

InChI=1S/C17H21N5O8S2/c1-29-16(23)14-15(17(24)30-2)22(20-19-14)11-6-8-21(9-7-11)32(27,28)13-5-3-4-12(10-13)31(18,25)26/h3-5,10-11H,6-9H2,1-2H3,(H2,18,25,26)