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

Systemtic Name: ethyl 5-methyl-1-(3-methylsulfonylphenyl)-2-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-methyl-1-(3-methylsulfonylphenyl)-2-phenyl-pyrrole-3-carboxylate CAS Name: 5-methyl-1-(3-methylsulfonylphenyl)-2-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-(3-methylsulfonylphenyl)-2-phenylpyrrole-3-carboxylate Traditional Name: 1-(3-mesylphenyl)-5-methyl-2-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-4-26-21(23)19-13-15(2)22(20(19)16-9-6-5-7-10-16)17-11-8-12-18(14-17)27(3,24)25/h5-14H,4H2,1-3H3