4-[[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]carbonyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]carbonyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[2-[(2,5-dimethylphenyl)methylthio]-4,5-dihydroimidazol-1-yl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-[(2,5-dimethylbenzyl)thio]-2-imidazoline-1-carbonyl]-N,N-diethyl-benzenesulfonamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H29N3O3S2/c1-5-25(6-2)31(28,29)21-11-9-19(10-12-21)22(27)26-14-13-24-23(26)30-16-20-15-17(3)7-8-18(20)4/h7-12,15H,5-6,13-14,16H2,1-4H3