2-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 2-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 2-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 2-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 2-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 2-(3-chlorobenzyl)-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(N(C2=CC=CC=C2C1)CC3=CN=CN3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CC(N(C2=CC=CC=C2C1)CC3=CN=CN3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H23ClN4O2S/c1-29(27,28)25-12-17-6-2-3-8-21(17)26(13-19-11-23-15-24-19)20(14-25)10-16-5-4-7-18(22)9-16/h2-9,11,15,20H,10,12-14H2,1H3,(H,23,24)