methyl (4R,5S)-5-tert-butyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylate

Systemtic Name: methyl (4R,5S)-5-tert-butyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylate Openeye Name: methyl (4R,5S)-5-tert-butyl-1-(p-tolylsulfonyl)-4,5-dihydroimidazole-4-carboxylate CAS Name: (4R,5S)-5-tert-butyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-5-tert-butyl-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylate Traditional Name: (4R,5S)-5-tert-butyl-1-tosyl-2-imidazoline-4-carboxylic acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=NC(C2C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=N[C@H]([C@@H]2C(C)(C)C)C(=O)OC

InChI

InChI=1S/C16H22N2O4S/c1-11-6-8-12(9-7-11)23(20,21)18-10-17-13(15(19)22-5)14(18)16(2,3)4/h6-10,13-14H,1-5H3/t13-,14-/m1/s1