2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-N,N,1-triethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-N,N,1-triethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-N,N,1-triethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-N,N,1-triethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N,N,1-triethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-N,N,1-triethyl-benzimidazole-5-sulfonamide Formula: C21H24ClN3O3S2 MolecularWeight: 466.01656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O3S2/c1-4-24(5-2)30(27,28)17-11-12-19-18(13-17)23-21(25(19)6-3)29-14-20(26)15-7-9-16(22)10-8-15/h7-13H,4-6,14H2,1-3H3