methyl 2,5-dimethyl-4-[2-(4-methylphenyl)sulfonyloxyphenyl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-[2-(4-methylphenyl)sulfonyloxyphenyl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,5-dimethyl-4-[2-(p-tolylsulfonyloxy)benzoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[2-(4-methylphenyl)sulfonyloxyphenyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-[2-(4-methylphenyl)sulfonyloxybenzoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-(2-tosyloxybenzoyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C3=C(NC(=C3C(=O)OC)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C3=C(NC(=C3C(=O)OC)C)C

InChI

InChI=1S/C22H21NO6S/c1-13-9-11-16(12-10-13)30(26,27)29-18-8-6-5-7-17(18)21(24)19-14(2)23-15(3)20(19)22(25)28-4/h5-12,23H,1-4H3