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

Systemtic Name: ethyl 2-methyl-1-(3-methylsulfonylphenyl)-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-(3-methylsulfonylphenyl)-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-(3-methylsulfonylphenyl)-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-(3-methylsulfonylphenyl)-5-phenylpyrrole-3-carboxylate Traditional Name: 1-(3-mesylphenyl)-2-methyl-5-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)C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

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