1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-(phenylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-(phenylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 4-besyl-1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3)CC4=CN=CN4)CCC5=CC=CC=C5

Isomeric SMILES

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3)CC4=CN=CN4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2S/c32-34(33,26-12-5-2-6-13-26)30-18-23-11-7-8-14-27(23)31(19-24-17-28-21-29-24)25(20-30)16-15-22-9-3-1-4-10-22/h1-14,17,21,25H,15-16,18-20H2,(H,28,29)