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

Systemtic Name: methyl 2,5-dimethyl-4-[2-(phenylsulfonyl)phenyl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-[2-(benzenesulfonyl)benzoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[2-(benzenesulfonyl)phenyl]-oxomethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(benzenesulfonyl)benzoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(2-besylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO5S/c1-13-18(19(14(2)22-13)21(24)27-3)20(23)16-11-7-8-12-17(16)28(25,26)15-9-5-4-6-10-15/h4-12,22H,1-3H3