7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 7-bromo-4-methylsulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-4-mesyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C17H19BrN2O2S MolecularWeight: 395.31396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)NCC1CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)NCC1CC3=CC=CC=C3

InChI

InChI=1S/C17H19BrN2O2S/c1-23(21,22)20-12-14-10-15(18)7-8-17(14)19-11-16(20)9-13-5-3-2-4-6-13/h2-8,10,16,19H,9,11-12H2,1H3