(NE)-N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide

Systemtic Name: (NE)-N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide Openeye Name: (NE)-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide CAS Name: (NE)-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide IUPAC Name: (NE)-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide Traditional Name: (NE)-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide Formula: C19H14BrN3O2S MolecularWeight: 428.30236

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NS(=O)(=O)C3=CC=CC=C3)N=C4N1C=C(C=C4)Br

Isomeric SMILES

C1C2=CC=CC=C2/C(=N\S(=O)(=O)C3=CC=CC=C3)/N=C4N1C=C(C=C4)Br

InChI

InChI=1S/C19H14BrN3O2S/c20-15-10-11-18-21-19(22-26(24,25)16-7-2-1-3-8-16)17-9-5-4-6-14(17)12-23(18)13-15/h1-11,13H,12H2/b22-19+