N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(1-ethyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H22N4O5S2/c1-2-24-16-8-7-14(31(21,26)27)9-15(16)23-20(24)30-12-19(25)22-10-13-11-28-17-5-3-4-6-18(17)29-13/h3-9,13H,2,10-12H2,1H3,(H,22,25)(H2,21,26,27)/t13-/m0/s1