1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanone Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C24H22N3O3S2+ MolecularWeight: 464.57978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O3S2/c28-23(26-16-8-10-18-9-4-6-14-21(18)26)17-31-24-25-20-13-5-7-15-22(20)27(24)32(29,30)19-11-2-1-3-12-19/h1-7,9,11-15H,8,10,16-17H2/p+1