4-(3-chloranylpropylsulfonyl)-7-phenyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: 4-(3-chloranylpropylsulfonyl)-7-phenyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 3-benzyl-4-(3-chloropropylsulfonyl)-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 4-(3-chloropropylsulfonyl)-7-phenyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 3-benzyl-4-(3-chloropropylsulfonyl)-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 3-benzyl-4-(3-chloropropylsulfonyl)-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C25H27ClN2O2S MolecularWeight: 455.01208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=CC(=C2)C3=CC=CC=C3)S(=O)(=O)CCCCl)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1)C=CC(=C2)C3=CC=CC=C3)S(=O)(=O)CCCCl)CC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN2O2S/c26-14-7-15-31(29,30)28-19-23-17-22(21-10-5-2-6-11-21)12-13-25(23)27-18-24(28)16-20-8-3-1-4-9-20/h1-6,8-13,17,24,27H,7,14-16,18-19H2