methyl 4-(4-cyanophenyl)-2,5-dimethyl-1-methylsulfonyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-(4-cyanophenyl)-2,5-dimethyl-1-methylsulfonyl-pyrrole-3-carboxylate Openeye Name: methyl 4-(4-cyanophenyl)-2,5-dimethyl-1-methylsulfonyl-pyrrole-3-carboxylate CAS Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-methylsulfonyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyanophenyl)-2,5-dimethyl-1-methylsulfonylpyrrole-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-1-mesyl-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1S(=O)(=O)C)C)C(=O)OC)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C(=C(N1S(=O)(=O)C)C)C(=O)OC)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H16N2O4S/c1-10-14(13-7-5-12(9-17)6-8-13)15(16(19)22-3)11(2)18(10)23(4,20)21/h5-8H,1-4H3