2-(1,3-benzoxazol-2-ylmethylsulfanyl)-N,N,1-triethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-N,N,1-triethyl-benzimidazole-5-sulfonamide Openeye Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-N,N,1-triethyl-benzimidazole-5-sulfonamide CAS Name: 2-(1,3-benzoxazol-2-ylmethylthio)-N,N,1-triethyl-5-benzimidazolesulfonamide IUPAC Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-N,N,1-triethylbenzimidazole-5-sulfonamide Traditional Name: 2-(1,3-benzoxazol-2-ylmethylthio)-N,N,1-triethyl-benzimidazole-5-sulfonamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N4O3S2/c1-4-24(5-2)30(26,27)15-11-12-18-17(13-15)23-21(25(18)6-3)29-14-20-22-16-9-7-8-10-19(16)28-20/h7-13H,4-6,14H2,1-3H3