1-(1H-imidazol-5-ylsulfonyl)-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylsulfonyl)-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-(benzenesulfonyl)-3-benzyl-1-(1H-imidazol-5-ylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-(benzenesulfonyl)-3-benzyl-1-(1H-imidazol-5-ylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-besyl-1-(1H-imidazol-5-ylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C26H23N5O4S2 MolecularWeight: 533.62192

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1S(=O)(=O)C3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1S(=O)(=O)C3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N5O4S2/c27-15-21-11-12-25-22(13-21)17-30(36(32,33)24-9-5-2-6-10-24)23(14-20-7-3-1-4-8-20)18-31(25)37(34,35)26-16-28-19-29-26/h1-13,16,19,23H,14,17-18H2,(H,28,29)