N-[2-[1H-imidazol-5-ylmethyl(phenyl)amino]ethyl]-N-(phenylmethyl)quinoline-8-sulfonamide

Systemtic Name: N-[2-[1H-imidazol-5-ylmethyl(phenyl)amino]ethyl]-N-(phenylmethyl)quinoline-8-sulfonamide Openeye Name: N-benzyl-N-[2-[N-(1H-imidazol-5-ylmethyl)anilino]ethyl]quinoline-8-sulfonamide CAS Name: N-[2-[N-(1H-imidazol-5-ylmethyl)anilino]ethyl]-N-(phenylmethyl)-8-quinolinesulfonamide IUPAC Name: N-benzyl-N-[2-[N-(1H-imidazol-5-ylmethyl)anilino]ethyl]quinoline-8-sulfonamide Traditional Name: N-benzyl-N-[2-[N-(1H-imidazol-5-ylmethyl)anilino]ethyl]quinoline-8-sulfonamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCN(CC2=CN=CN2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN(CCN(CC2=CN=CN2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H27N5O2S/c34-36(35,27-15-7-11-24-12-8-16-30-28(24)27)33(20-23-9-3-1-4-10-23)18-17-32(21-25-19-29-22-31-25)26-13-5-2-6-14-26/h1-16,19,22H,17-18,20-21H2,(H,29,31)