3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide CAS Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]benzamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Traditional Name: N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-3-(piperonylsulfamoyl)benzamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O5S2/c1-25-9-7-23-21(25)31-10-8-22-20(26)16-3-2-4-17(12-16)32(27,28)24-13-15-5-6-18-19(11-15)30-14-29-18/h2-7,9,11-12,24H,8,10,13-14H2,1H3,(H,22,26)