ditert-butyl 6-(4-methylphenyl)sulfonyl-1,4-dihydropyrrolo[3,4-d]pyridazine-2,3-dicarboxylate

Systemtic Name: ditert-butyl 6-(4-methylphenyl)sulfonyl-1,4-dihydropyrrolo[3,4-d]pyridazine-2,3-dicarboxylate Openeye Name: ditert-butyl 6-(p-tolylsulfonyl)-1,4-dihydropyrrolo[3,4-d]pyridazine-2,3-dicarboxylate CAS Name: 6-(4-methylphenyl)sulfonyl-1,4-dihydropyrrolo[3,4-d]pyridazine-2,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 6-(4-methylphenyl)sulfonyl-1,4-dihydropyrrolo[3,4-d]pyridazine-2,3-dicarboxylate Traditional Name: 6-tosyl-1,4-dihydropyrrolo[3,4-d]pyridazine-2,3-dicarboxylic acid ditert-butyl ester Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C3CN(N(CC3=C2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C3CN(N(CC3=C2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N3O6S/c1-16-8-10-19(11-9-16)33(29,30)24-12-17-14-25(20(27)31-22(2,3)4)26(15-18(17)13-24)21(28)32-23(5,6)7/h8-13H,14-15H2,1-7H3