7-bromanyl-4-methylsulfonyl-2-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-4-methylsulfonyl-2-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 7-bromo-4-methylsulfonyl-2-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 7-bromo-4-methylsulfonyl-2-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 7-bromo-4-methylsulfonyl-2-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 7-bromo-4-mesyl-2-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C18H21BrN2O2S MolecularWeight: 409.34054

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(NC2=C(C1)C=C(C=C2)Br)CCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CC(NC2=C(C1)C=C(C=C2)Br)CCC3=CC=CC=C3

InChI

InChI=1S/C18H21BrN2O2S/c1-24(22,23)21-12-15-11-16(19)8-10-18(15)20-17(13-21)9-7-14-5-3-2-4-6-14/h2-6,8,10-11,17,20H,7,9,12-13H2,1H3