ethyl 5-(4-chlorophenyl)-2-methyl-1-(3-methylsulfonylphenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-(3-methylsulfonylphenyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-(3-methylsulfonylphenyl)pyrrole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-methyl-1-(3-methylsulfonylphenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-(3-methylsulfonylphenyl)pyrrole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-(3-mesylphenyl)-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H20ClNO4S/c1-4-27-21(24)19-13-20(15-8-10-16(22)11-9-15)23(14(19)2)17-6-5-7-18(12-17)28(3,25)26/h5-13H,4H2,1-3H3