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

Systemtic Name: 7-bromanyl-4-methylsulfonyl-3-(phenoxymethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 7-bromo-4-methylsulfonyl-3-(phenoxymethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 7-bromo-4-methylsulfonyl-3-(phenoxymethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 7-bromo-4-methylsulfonyl-3-(phenoxymethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 7-bromo-4-mesyl-3-(phenoxymethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)NCC1COC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)NCC1COC3=CC=CC=C3

InChI

InChI=1S/C17H19BrN2O3S/c1-24(21,22)20-11-13-9-14(18)7-8-17(13)19-10-15(20)12-23-16-5-3-2-4-6-16/h2-9,15,19H,10-12H2,1H3