methyl 4-(2-chloranyl-5-methylsulfonyl-phenyl)carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-(2-chloranyl-5-methylsulfonyl-phenyl)carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-(2-chloro-5-methylsulfonyl-benzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(2-chloro-5-methylsulfonylphenyl)-oxomethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(2-chloro-5-mesyl-benzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H16ClNO5S MolecularWeight: 369.81994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C16H16ClNO5S/c1-8-13(14(9(2)18-8)16(20)23-3)15(19)11-7-10(24(4,21)22)5-6-12(11)17/h5-7,18H,1-4H3