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

Systemtic Name: (phenylmethyl) 3-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-5-carboxylate Openeye Name: benzyl 3-methyl-1-(p-tolylsulfonyl)-2,3-dihydropyrrole-5-carboxylate CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-5-carboxylate Traditional Name: 4-methyl-1-tosyl-2-pyrroline-2-carboxylic acid benzyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CN(C(=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H21NO4S/c1-15-8-10-18(11-9-15)26(23,24)21-13-16(2)12-19(21)20(22)25-14-17-6-4-3-5-7-17/h3-12,16H,13-14H2,1-2H3