4-(4-aminophenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(4-aminophenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-(4-aminophenyl)sulfonyl-3-benzyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(4-aminophenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-(4-aminophenyl)sulfonyl-3-benzyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-sulfanilyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C27H26N6O2S MolecularWeight: 498.59934

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=C(C=C4)N)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=C(C=C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N6O2S/c28-14-21-6-11-27-22(12-21)16-33(36(34,35)26-9-7-23(29)8-10-26)25(13-20-4-2-1-3-5-20)18-32(27)17-24-15-30-19-31-24/h1-12,15,19,25H,13,16-18,29H2,(H,30,31)