dimethyl 5-[5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrazol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrazol-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[5-(p-tolylsulfonyl)tetrazol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[5-(4-methylphenyl)sulfonyl-1-tetrazolyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[5-(4-methylphenyl)sulfonyltetrazol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-(5-tosyltetrazol-1-yl)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=NN=NN2C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=NN=NN2C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H16N4O6S/c1-11-4-6-15(7-5-11)29(25,26)18-19-20-21-22(18)14-9-12(16(23)27-2)8-13(10-14)17(24)28-3/h4-10H,1-3H3