methyl 1-(dimethylsulfamoyl)-4-(4-methoxyphenyl)-3-(2-phenylethynyl)pyrrole-2-carboxylate

Systemtic Name: methyl 1-(dimethylsulfamoyl)-4-(4-methoxyphenyl)-3-(2-phenylethynyl)pyrrole-2-carboxylate Openeye Name: methyl 1-(dimethylsulfamoyl)-4-(4-methoxyphenyl)-3-(2-phenylethynyl)pyrrole-2-carboxylate CAS Name: 1-(dimethylsulfamoyl)-4-(4-methoxyphenyl)-3-(2-phenylethynyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(dimethylsulfamoyl)-4-(4-methoxyphenyl)-3-(2-phenylethynyl)pyrrole-2-carboxylate Traditional Name: 1-(dimethylsulfamoyl)-4-(4-methoxyphenyl)-3-(2-phenylethynyl)pyrrole-2-carboxylic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1C=C(C(=C1C(=O)OC)C#CC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)S(=O)(=O)N1C=C(C(=C1C(=O)OC)C#CC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H22N2O5S/c1-24(2)31(27,28)25-16-21(18-11-13-19(29-3)14-12-18)20(22(25)23(26)30-4)15-10-17-8-6-5-7-9-17/h5-9,11-14,16H,1-4H3