4-(4-tert-butylphenyl)sulfonyl-1-(1H-imidazol-2-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-1-(1H-imidazol-2-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-1-(1H-imidazol-2-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 4-(4-tert-butylphenyl)sulfonyl-1-(1H-imidazol-2-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-1-(1H-imidazol-2-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-1-(1H-imidazol-2-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C31H36N4O2S MolecularWeight: 528.70814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC(N(C3=CC=CC=C3C2)CC4=NC=CN4)CCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC(N(C3=CC=CC=C3C2)CC4=NC=CN4)CCC5=CC=CC=C5

InChI

InChI=1S/C31H36N4O2S/c1-31(2,3)26-14-17-28(18-15-26)38(36,37)34-21-25-11-7-8-12-29(25)35(23-30-32-19-20-33-30)27(22-34)16-13-24-9-5-4-6-10-24/h4-12,14-15,17-20,27H,13,16,21-23H2,1-3H3,(H,32,33)