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

Systemtic Name: dimethyl 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[1-(p-tolylsulfonyl)-4-piperidyl]triazole-4,5-dicarboxylate CAS Name: 1-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazole-4,5-dicarboxylate Traditional Name: 1-(1-tosyl-4-piperidyl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C(=C(N=N3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C(=C(N=N3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H22N4O6S/c1-12-4-6-14(7-5-12)29(25,26)21-10-8-13(9-11-21)22-16(18(24)28-3)15(19-20-22)17(23)27-2/h4-7,13H,8-11H2,1-3H3