dimethyl 2-methyl-1-[(4-methylphenyl)sulfonylamino]-5-pyridin-2-yl-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-methyl-1-[(4-methylphenyl)sulfonylamino]-5-pyridin-2-yl-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-methyl-1-(p-tolylsulfonylamino)-5-(2-pyridyl)pyrrole-3,4-dicarboxylate CAS Name: 2-methyl-1-[(4-methylphenyl)sulfonylamino]-5-(2-pyridinyl)pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-methyl-1-[(4-methylphenyl)sulfonylamino]-5-pyridin-2-ylpyrrole-3,4-dicarboxylate Traditional Name: 2-methyl-5-(2-pyridyl)-1-(tosylamino)pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C2C3=CC=CC=N3)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C2C3=CC=CC=N3)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C21H21N3O6S/c1-13-8-10-15(11-9-13)31(27,28)23-24-14(2)17(20(25)29-3)18(21(26)30-4)19(24)16-7-5-6-12-22-16/h5-12,23H,1-4H3