N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-methoxyphenyl)-1-methyl-imidazol-2-yl]sulfinyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-methoxyphenyl)-1-methyl-imidazol-2-yl]sulfinyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-methoxyphenyl)-1-methyl-imidazol-2-yl]sulfinyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(4-methoxyphenyl)-1-methyl-2-imidazolyl]sulfinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfinylacetamide Traditional Name: 2-[5-(4-methoxyphenyl)-1-methyl-imidazol-2-yl]sulfinyl-N-piperonyl-acetamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1S(=O)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=CN=C1S(=O)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H21N3O5S/c1-24-17(15-4-6-16(27-2)7-5-15)11-23-21(24)30(26)12-20(25)22-10-14-3-8-18-19(9-14)29-13-28-18/h3-9,11H,10,12-13H2,1-2H3,(H,22,25)