ethyl (4S,5R)-5-(4-iodophenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylate

Systemtic Name: ethyl (4S,5R)-5-(4-iodophenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylate Openeye Name: ethyl (4S,5R)-5-(4-iodophenyl)-1-(p-tolylsulfonyl)-4,5-dihydroimidazole-4-carboxylate CAS Name: (4S,5R)-5-(4-iodophenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-5-(4-iodophenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylate Traditional Name: (4S,5R)-5-(4-iodophenyl)-1-tosyl-2-imidazoline-4-carboxylic acid ethyl ester Formula: C19H19IN2O4S MolecularWeight: 498.33463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](N(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)I

InChI

InChI=1S/C19H19IN2O4S/c1-3-26-19(23)17-18(14-6-8-15(20)9-7-14)22(12-21-17)27(24,25)16-10-4-13(2)5-11-16/h4-12,17-18H,3H2,1-2H3/t17-,18+/m0/s1