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

Systemtic Name: N,N-diethyl-4-[[2-(phenylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]carbonyl]benzenesulfonamide Openeye Name: 4-(2-benzylsulfanyl-4,5-dihydroimidazole-1-carbonyl)-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[oxo-[2-(phenylmethylthio)-4,5-dihydroimidazol-1-yl]methyl]benzenesulfonamide IUPAC Name: 4-(2-benzylsulfanyl-4,5-dihydroimidazole-1-carbonyl)-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-(benzylthio)-2-imidazoline-1-carbonyl]-N,N-diethyl-benzenesulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-3-23(4-2)29(26,27)19-12-10-18(11-13-19)20(25)24-15-14-22-21(24)28-16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3