2-[[2-phenyl-5-(phenylsulfonyl)-1H-imidazol-4-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[2-phenyl-5-(phenylsulfonyl)-1H-imidazol-4-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-besyl-2-phenyl-1H-imidazol-4-yl)thio]-1-pyrrolidino-ethanone Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=C(NC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=C(NC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S2/c25-18(24-13-7-8-14-24)15-28-20-21(29(26,27)17-11-5-2-6-12-17)23-19(22-20)16-9-3-1-4-10-16/h1-6,9-12H,7-8,13-15H2,(H,22,23)