methyl 2-azanyl-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrole-3-carboxylate

Systemtic Name: methyl 2-azanyl-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrole-3-carboxylate Openeye Name: methyl 2-amino-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrole-3-carboxylate CAS Name: 2-amino-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrole-3-carboxylate Traditional Name: 2-amino-1-(4-fluorophenyl)-5-(4-mesylphenyl)pyrrole-3-carboxylic acid methyl ester Formula: C19H17FN2O4S MolecularWeight: 388.412683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)N

Isomeric SMILES

COC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C19H17FN2O4S/c1-26-19(23)16-11-17(12-3-9-15(10-4-12)27(2,24)25)22(18(16)21)14-7-5-13(20)6-8-14/h3-11H,21H2,1-2H3