N-[7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]benzenesulfonamide

Systemtic Name: N-[7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]benzenesulfonamide Openeye Name: N-[3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]benzenesulfonamide CAS Name: N-[7-cyano-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]benzenesulfonamide IUPAC Name: N-[3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]benzenesulfonamide Traditional Name: N-[3-benzyl-7-cyano-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]benzenesulfonamide Formula: C27H26N6O2S MolecularWeight: 498.59934

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)NS(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)NS(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N6O2S/c28-15-22-11-12-27-23(13-22)17-33(31-36(34,35)26-9-5-2-6-10-26)25(14-21-7-3-1-4-8-21)19-32(27)18-24-16-29-20-30-24/h1-13,16,20,25,31H,14,17-19H2,(H,29,30)