methyl (4S,5R)-5-(2-chloranyl-5-nitro-phenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylate

Systemtic Name: methyl (4S,5R)-5-(2-chloranyl-5-nitro-phenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylate Openeye Name: methyl (4S,5R)-5-(2-chloro-5-nitro-phenyl)-1-(p-tolylsulfonyl)-4,5-dihydroimidazole-4-carboxylate CAS Name: (4S,5R)-5-(2-chloro-5-nitrophenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-5-(2-chloro-5-nitrophenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylate Traditional Name: (4S,5R)-5-(2-chloro-5-nitro-phenyl)-1-tosyl-2-imidazoline-4-carboxylic acid methyl ester Formula: C18H16ClN3O6S MolecularWeight: 437.85414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=NC(C2C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=N[C@@H]([C@H]2C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C18H16ClN3O6S/c1-11-3-6-13(7-4-11)29(26,27)21-10-20-16(18(23)28-2)17(21)14-9-12(22(24)25)5-8-15(14)19/h3-10,16-17H,1-2H3/t16-,17+/m0/s1