1-(phenylmethyl)-4-(phenylsulfonyl)-7-pyridin-4-yl-5H-1,4-benzodiazepine

Systemtic Name: 1-(phenylmethyl)-4-(phenylsulfonyl)-7-pyridin-4-yl-5H-1,4-benzodiazepine Openeye Name: 4-(benzenesulfonyl)-1-benzyl-7-(4-pyridyl)-5H-1,4-benzodiazepine CAS Name: 4-(benzenesulfonyl)-1-(phenylmethyl)-7-pyridin-4-yl-5H-1,4-benzodiazepine IUPAC Name: 4-(benzenesulfonyl)-1-benzyl-7-pyridin-4-yl-5H-1,4-benzodiazepine Traditional Name: 1-benzyl-4-besyl-7-(4-pyridyl)-5H-1,4-benzodiazepine Formula: C27H23N3O2S MolecularWeight: 453.55542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C3=CC=NC=C3)N(C=CN1S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C2=C(C=CC(=C2)C3=CC=NC=C3)N(C=CN1S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H23N3O2S/c31-33(32,26-9-5-2-6-10-26)30-18-17-29(20-22-7-3-1-4-8-22)27-12-11-24(19-25(27)21-30)23-13-15-28-16-14-23/h1-19H,20-21H2