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

Systemtic Name: methyl 4-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfinylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfinylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-5-phenyl-2-imidazolyl)sulfinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfinylacetyl]amino]benzoate Traditional Name: 4-[[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfinylacetyl]amino]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-23-17(14-6-4-3-5-7-14)12-21-20(23)28(26)13-18(24)22-16-10-8-15(9-11-16)19(25)27-2/h3-12H,13H2,1-2H3,(H,22,24)