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

Systemtic Name: 1-(1H-imidazol-5-ylsulfonyl)-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylsulfonyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylsulfonyl)-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylsulfonyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylsulfonyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)S(=O)(=O)C4=CN=CN4

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)S(=O)(=O)C4=CN=CN4

InChI

InChI=1S/C23H25N5O4S2/c1-2-10-33(29,30)27-15-20-11-19(13-24)8-9-22(20)28(34(31,32)23-14-25-17-26-23)16-21(27)12-18-6-4-3-5-7-18/h3-9,11,14,17,21H,2,10,12,15-16H2,1H3,(H,25,26)