N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(dimethylsulfamoyl)benzamide

Systemtic Name: N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(dimethylsulfamoyl)benzamide Openeye Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(dimethylsulfamoyl)benzamide CAS Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(dimethylsulfamoyl)benzamide IUPAC Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(dimethylsulfamoyl)benzamide Traditional Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(dimethylsulfamoyl)benzamide Formula: C22H19BrN4O3S MolecularWeight: 499.38026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)Br

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)Br

InChI

InChI=1S/C22H19BrN4O3S/c1-26(2)31(29,30)18-8-5-7-15(12-18)22(28)25-21-19-9-4-3-6-16(19)13-27-14-17(23)10-11-20(27)24-21/h3-12,14H,13H2,1-2H3