methyl 4-[2-[5-(4-chlorophenyl)-1-methyl-imidazol-2-yl]sulfinylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-(4-chlorophenyl)-1-methyl-imidazol-2-yl]sulfinylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-(4-chlorophenyl)-1-methyl-imidazol-2-yl]sulfinylacetyl]amino]benzoate CAS Name: 4-[[2-[[5-(4-chlorophenyl)-1-methyl-2-imidazolyl]sulfinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinylacetyl]amino]benzoate Traditional Name: 4-[[2-[5-(4-chlorophenyl)-1-methyl-imidazol-2-yl]sulfinylacetyl]amino]benzoic acid methyl ester Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1S(=O)CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=CN=C1S(=O)CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-24-17(13-3-7-15(21)8-4-13)11-22-20(24)29(27)12-18(25)23-16-9-5-14(6-10-16)19(26)28-2/h3-11H,12H2,1-2H3,(H,23,25)