7-bromanyl-3-[(4-methoxyphenyl)methyl]-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-3-[(4-methoxyphenyl)methyl]-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 7-bromo-3-[(4-methoxyphenyl)methyl]-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 7-bromo-3-[(4-methoxyphenyl)methyl]-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 7-bromo-3-[(4-methoxyphenyl)methyl]-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 7-bromo-4-mesyl-3-p-anisyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C18H21BrN2O3S MolecularWeight: 425.33994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2CNC3=C(CN2S(=O)(=O)C)C=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)CC2CNC3=C(CN2S(=O)(=O)C)C=C(C=C3)Br

InChI

InChI=1S/C18H21BrN2O3S/c1-24-17-6-3-13(4-7-17)9-16-11-20-18-8-5-15(19)10-14(18)12-21(16)25(2,22)23/h3-8,10,16,20H,9,11-12H2,1-2H3