4-[bis(oxidanyl)methylidene]-7-bromanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one

Systemtic Name: 4-[bis(oxidanyl)methylidene]-7-bromanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one Openeye Name: 7-bromo-4-(dihydroxymethylene)-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepin-5-one CAS Name: 7-bromo-4-(dihydroxymethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one IUPAC Name: 7-bromo-4-(dihydroxymethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one Traditional Name: 7-bromo-4-(dihydroxymethylene)-1-tosyl-2,3-dihydro-1-benzazepin-5-one Formula: C18H16BrNO5S MolecularWeight: 438.29234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C(O)O)C(=O)C3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C(O)O)C(=O)C3=C2C=CC(=C3)Br

InChI

InChI=1S/C18H16BrNO5S/c1-11-2-5-13(6-3-11)26(24,25)20-9-8-14(18(22)23)17(21)15-10-12(19)4-7-16(15)20/h2-7,10,22-23H,8-9H2,1H3