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

Systemtic Name: N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-(dipropylsulfamoyl)benzamide Openeye Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-(dipropylsulfamoyl)benzamide CAS Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-(dipropylsulfamoyl)benzamide IUPAC Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-(dipropylsulfamoyl)benzamide Traditional Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-(dipropylsulfamoyl)benzamide Formula: C26H27BrN4O3S MolecularWeight: 555.48658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN4O3S/c1-3-15-31(16-4-2)35(33,34)22-12-9-19(10-13-22)26(32)29-25-23-8-6-5-7-20(23)17-30-18-21(27)11-14-24(30)28-25/h5-14,18H,3-4,15-17H2,1-2H3