N-[2-azanyl-3-[(5-bromanylpyridin-2-yl)amino]-3-oxidanylidene-propyl]-4-(2-sulfamoylphenyl)benzamide

Systemtic Name: N-[2-azanyl-3-[(5-bromanylpyridin-2-yl)amino]-3-oxidanylidene-propyl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-amino-3-[(5-bromo-2-pyridyl)amino]-3-oxo-propyl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-amino-3-[(5-bromo-2-pyridinyl)amino]-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-amino-3-[(5-bromopyridin-2-yl)amino]-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-amino-3-[(5-bromo-2-pyridyl)amino]-3-keto-propyl]-4-(2-sulfamoylphenyl)benzamide Formula: C21H20BrN5O4S MolecularWeight: 518.3836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NCC(C(=O)NC3=NC=C(C=C3)Br)N)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NCC(C(=O)NC3=NC=C(C=C3)Br)N)S(=O)(=O)N

InChI

InChI=1S/C21H20BrN5O4S/c22-15-9-10-19(25-11-15)27-21(29)17(23)12-26-20(28)14-7-5-13(6-8-14)16-3-1-2-4-18(16)32(24,30)31/h1-11,17H,12,23H2,(H,26,28)(H2,24,30,31)(H,25,27,29)