7-bromanyl-4-methylsulfonyl-1-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-4-methylsulfonyl-1-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-4-methylsulfonyl-1-[(1-oxidopyridin-1-ium-3-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-4-methylsulfonyl-1-[(1-oxido-3-pyridin-1-iumyl)methyl]-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-4-methylsulfonyl-1-[(1-oxidopyridin-1-ium-3-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-4-mesyl-1-[(1-oxidopyridin-1-ium-3-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine Formula: C23H24BrN3O3S MolecularWeight: 502.42396

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)CC4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)CC4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C23H24BrN3O3S/c1-31(29,30)27-16-20-13-21(24)9-10-23(20)25(14-19-8-5-11-26(28)15-19)17-22(27)12-18-6-3-2-4-7-18/h2-11,13,15,22H,12,14,16-17H2,1H3