1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 1-(1H-imidazol-5-ylmethyl)-4-mesyl-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(N(C2=CC=CC=C2C1)CC3=CN=CN3)CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC(N(C2=CC=CC=C2C1)CC3=CN=CN3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-29(27,28)25-14-19-9-5-6-10-22(19)26(15-20-13-23-17-24-20)21(16-25)12-11-18-7-3-2-4-8-18/h2-10,13,17,21H,11-12,14-16H2,1H3,(H,23,24)