(3R)-7-bromanyl-4-ethenylsulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: (3R)-7-bromanyl-4-ethenylsulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: (3R)-3-benzyl-7-bromo-4-vinylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: (3R)-7-bromo-4-ethenylsulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: (3R)-3-benzyl-7-bromo-4-ethenylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: (3R)-3-benzyl-7-bromo-4-vinylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)NC[C@H]1CC3=CC=CC=C3

InChI

InChI=1S/C18H19BrN2O2S/c1-2-24(22,23)21-13-15-11-16(19)8-9-18(15)20-12-17(21)10-14-6-4-3-5-7-14/h2-9,11,17,20H,1,10,12-13H2/t17-/m1/s1