N,N-diethyl-2-[(4-methoxy-3-methyl-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-2-[(4-methoxy-3-methyl-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-1-isopropyl-2-[(4-methoxy-3-methyl-phenyl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylthio]-1-propan-2-yl-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylsulfanyl]-1-propan-2-ylbenzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-1-isopropyl-2-[(4-methoxy-3-methyl-benzyl)thio]benzimidazole-5-sulfonamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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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)OC)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S2/c1-7-25(8-2)31(27,28)19-10-11-21-20(14-19)24-23(26(21)16(3)4)30-15-18-9-12-22(29-6)17(5)13-18/h9-14,16H,7-8,15H2,1-6H3