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

Systemtic Name: methyl 2,5-dimethyl-4-[2-(phenylmethyl)sulfonylphenyl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-(2-benzylsulfonylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[oxo-[2-(phenylmethyl)sulfonylphenyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-benzylsulfonylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(2-benzylsulfonylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5S/c1-14-19(20(15(2)23-14)22(25)28-3)21(24)17-11-7-8-12-18(17)29(26,27)13-16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3