2-[(4-cyanophenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-yl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-yl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N,N-diethyl-1-isopropyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N,N-diethyl-1-propan-2-yl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-ylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N,N-diethyl-1-isopropyl-benzimidazole-5-sulfonamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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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=C(C=C3)C#N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S2/c1-5-25(6-2)30(27,28)19-11-12-21-20(13-19)24-22(26(21)16(3)4)29-15-18-9-7-17(14-23)8-10-18/h7-13,16H,5-6,15H2,1-4H3