(3-morpholin-4-ylsulfonylphenyl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H23N3O5S2/c1-31-22-23-15-20(25(22)18-7-3-2-4-8-18)21(26)30-16-17-6-5-9-19(14-17)32(27,28)24-10-12-29-13-11-24/h2-9,14-15H,10-13,16H2,1H3