1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)S(=O)(=O)CCC4=NC=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)S(=O)(=O)CCC4=NC=CN4

InChI

InChI=1S/C23H25N5O4S2/c1-33(29,30)27-16-20-13-19(15-24)7-8-22(20)28(17-21(27)14-18-5-3-2-4-6-18)34(31,32)12-9-23-25-10-11-26-23/h2-8,10-11,13,21H,9,12,14,16-17H2,1H3,(H,25,26)