2-bromanyl-5-(4-methylphenyl)sulfonyl-6H-benzo[d][1]benzazepin-7-one

Systemtic Name: 2-bromanyl-5-(4-methylphenyl)sulfonyl-6H-benzo[d][1]benzazepin-7-one Openeye Name: 2-bromo-5-(p-tolylsulfonyl)-6H-benzo[d][1]benzazepin-7-one CAS Name: 2-bromo-5-(4-methylphenyl)sulfonyl-6H-benzo[d][1]benzazepin-7-one IUPAC Name: 2-bromo-5-(4-methylphenyl)sulfonyl-6H-benzo[d][1]benzazepin-7-one Traditional Name: 2-bromo-5-tosyl-6H-benzo[d][1]benzazepin-7-one Formula: C21H16BrNO3S MolecularWeight: 442.32564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)C3=CC=CC=C3C4=C2C=CC(=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)C3=CC=CC=C3C4=C2C=CC(=C4)Br

InChI

InChI=1S/C21H16BrNO3S/c1-14-6-9-16(10-7-14)27(25,26)23-13-21(24)18-5-3-2-4-17(18)19-12-15(22)8-11-20(19)23/h2-12H,13H2,1H3