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

Systemtic Name: N-[2-acetamido-3-[(5-bromanylpyridin-2-yl)amino]-3-oxidanylidene-propyl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-acetamido-3-[(5-bromo-2-pyridyl)amino]-3-oxo-propyl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-acetamido-3-[(5-bromo-2-pyridinyl)amino]-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-acetamido-3-[(5-bromopyridin-2-yl)amino]-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-acetamido-3-[(5-bromo-2-pyridyl)amino]-3-keto-propyl]-4-(2-sulfamoylphenyl)benzamide Formula: C23H22BrN5O5S MolecularWeight: 560.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CC(=O)NC(CNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)C(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C23H22BrN5O5S/c1-14(30)28-19(23(32)29-21-11-10-17(24)12-26-21)13-27-22(31)16-8-6-15(7-9-16)18-4-2-3-5-20(18)35(25,33)34/h2-12,19H,13H2,1H3,(H,27,31)(H,28,30)(H2,25,33,34)(H,26,29,32)