2-[(3-chlorophenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-yl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-yl-benzimidazole-5-sulfonamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,N-diethyl-1-isopropyl-benzimidazole-5-sulfonamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N,N-diethyl-1-propan-2-yl-5-benzimidazolesulfonamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-ylbenzimidazole-5-sulfonamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N,N-diethyl-1-isopropyl-benzimidazole-5-sulfonamide Formula: C21H26ClN3O2S2 MolecularWeight: 452.03304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC(=CC=C3)Cl)C(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC(=CC=C3)Cl)C(C)C

InChI

InChI=1S/C21H26ClN3O2S2/c1-5-24(6-2)29(26,27)18-10-11-20-19(13-18)23-21(25(20)15(3)4)28-14-16-8-7-9-17(22)12-16/h7-13,15H,5-6,14H2,1-4H3