N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-phenethyl-benzenesulfonamide

Systemtic Name: N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-phenethyl-benzenesulfonamide Openeye Name: N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-phenethyl-benzenesulfonamide CAS Name: N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-phenethylbenzenesulfonamide IUPAC Name: N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-phenethylbenzenesulfonamide Traditional Name: N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-phenethyl-benzenesulfonamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C2=C1C=C(C=C2)C#N)CC3=CN=CN3)N(CCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1C(CN(C2=C1C=C(C=C2)C#N)CC3=CN=CN3)N(CCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c29-17-23-11-12-28-24(15-23)16-26(20-32(28)19-25-18-30-21-31-25)33(14-13-22-7-3-1-4-8-22)36(34,35)27-9-5-2-6-10-27/h1-12,15,18,21,26H,13-14,16,19-20H2,(H,30,31)