methyl 1-(4-methylphenyl)sulfonyl-5-phenyl-4-(2-phenylethynyl)-2,3-dihydropyrrole-2-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)sulfonyl-5-phenyl-4-(2-phenylethynyl)-2,3-dihydropyrrole-2-carboxylate Openeye Name: methyl 5-phenyl-4-(2-phenylethynyl)-1-(p-tolylsulfonyl)-2,3-dihydropyrrole-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-5-phenyl-4-(2-phenylethynyl)-2,3-dihydropyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)sulfonyl-5-phenyl-4-(2-phenylethynyl)-2,3-dihydropyrrole-2-carboxylate Traditional Name: 5-phenyl-4-(2-phenylethynyl)-1-tosyl-2-pyrroline-2-carboxylic acid methyl ester Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=C2C3=CC=CC=C3)C#CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=C2C3=CC=CC=C3)C#CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H23NO4S/c1-20-13-17-24(18-14-20)33(30,31)28-25(27(29)32-2)19-23(16-15-21-9-5-3-6-10-21)26(28)22-11-7-4-8-12-22/h3-14,17-18,25H,19H2,1-2H3