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

Systemtic Name: 7-bromanyl-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 7-bromo-4-methylsulfonyl-3-(3-pyridylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 7-bromo-4-methylsulfonyl-3-(3-pyridinylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 7-bromo-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 7-bromo-4-mesyl-3-(3-pyridylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C16H18BrN3O2S MolecularWeight: 396.30202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O2S/c1-23(21,22)20-11-13-8-14(17)4-5-16(13)19-10-15(20)7-12-3-2-6-18-9-12/h2-6,8-9,15,19H,7,10-11H2,1H3