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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(3-nitrophenyl)sulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 1-(1H-imidazol-5-ylmethyl)-4-(3-nitrophenyl)sulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-(3-nitrophenyl)sulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-4-(3-nitrophenyl)sulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 1-(1H-imidazol-5-ylmethyl)-4-(3-nitrophenyl)sulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C27H27N5O4S MolecularWeight: 517.59938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CN=CN4)CCC5=CC=CC=C5

Isomeric SMILES

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC4=CN=CN4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O4S/c33-32(34)24-10-6-11-26(15-24)37(35,36)30-17-22-9-4-5-12-27(22)31(18-23-16-28-20-29-23)25(19-30)14-13-21-7-2-1-3-8-21/h1-12,15-16,20,25H,13-14,17-19H2,(H,28,29)