1-(1H-imidazol-5-ylmethyl)-7-isocyano-N,N-dimethyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-7-isocyano-N,N-dimethyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-N,N-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide CAS Name: 1-(1H-imidazol-5-ylmethyl)-7-isocyano-N,N-dimethyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-N,N-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-N,N-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CC2=C(C=CC(=C2)[N+]#[C-])N(CC1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CN(C)S(=O)(=O)N1CC2=C(C=CC(=C2)[N+]#[C-])N(CC1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C23H26N6O2S/c1-24-20-9-10-23-19(12-20)14-29(32(30,31)27(2)3)22(11-18-7-5-4-6-8-18)16-28(23)15-21-13-25-17-26-21/h4-10,12-13,17,22H,11,14-16H2,2-3H3,(H,25,26)