methyl 1-(4-methylphenyl)sulfonyl-2-pyridin-2-yl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)sulfonyl-2-pyridin-2-yl-2,5-dihydropyrrole-3-carboxylate Openeye Name: methyl 1-(p-tolylsulfonyl)-2-(2-pyridyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-(2-pyridinyl)-2,5-dihydropyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)sulfonyl-2-pyridin-2-yl-2,5-dihydropyrrole-3-carboxylate Traditional Name: 2-(2-pyridyl)-1-tosyl-3-pyrroline-3-carboxylic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C18H18N2O4S/c1-13-6-8-14(9-7-13)25(22,23)20-12-10-15(18(21)24-2)17(20)16-5-3-4-11-19-16/h3-11,17H,12H2,1-2H3