ditert-butyl 2-(4-methylphenyl)sulfonyl-1H-pyrrole-3,4-dicarboxylate

Systemtic Name: ditert-butyl 2-(4-methylphenyl)sulfonyl-1H-pyrrole-3,4-dicarboxylate Openeye Name: ditert-butyl 2-(p-tolylsulfonyl)-1H-pyrrole-3,4-dicarboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-1H-pyrrole-3,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(4-methylphenyl)sulfonyl-1H-pyrrole-3,4-dicarboxylate Traditional Name: 2-tosyl-1H-pyrrole-3,4-dicarboxylic acid ditert-butyl ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CN2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CN2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO6S/c1-13-8-10-14(11-9-13)29(25,26)17-16(19(24)28-21(5,6)7)15(12-22-17)18(23)27-20(2,3)4/h8-12,22H,1-7H3