1-(4-fluorophenyl)sulfonyl-3-(phenylmethyl)-1,4-benzodiazepine

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-3-(phenylmethyl)-1,4-benzodiazepine Openeye Name: 3-benzyl-1-(4-fluorophenyl)sulfonyl-1,4-benzodiazepine CAS Name: 1-(4-fluorophenyl)sulfonyl-3-(phenylmethyl)-1,4-benzodiazepine IUPAC Name: 3-benzyl-1-(4-fluorophenyl)sulfonyl-1,4-benzodiazepine Traditional Name: 3-benzyl-1-(4-fluorophenyl)sulfonyl-1,4-benzodiazepine Formula: C22H17FN2O2S MolecularWeight: 392.445983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2O2S/c23-19-10-12-21(13-11-19)28(26,27)25-16-20(14-17-6-2-1-3-7-17)24-15-18-8-4-5-9-22(18)25/h1-13,15-16H,14H2