N-(5-bromanylpyridin-2-yl)-2-[[4-(2-tert-butylsulfonylphenyl)phenyl]carbonylamino]-4-nitro-benzamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[[4-(2-tert-butylsulfonylphenyl)phenyl]carbonylamino]-4-nitro-benzamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[[4-(2-tert-butylsulfonylphenyl)benzoyl]amino]-4-nitro-benzamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[[4-(2-tert-butylsulfonylphenyl)phenyl]-oxomethyl]amino]-4-nitrobenzamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[[4-(2-tert-butylsulfonylphenyl)benzoyl]amino]-4-nitrobenzamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[[4-(2-tert-butylsulfonylphenyl)benzoyl]amino]-4-nitro-benzamide Formula: C29H25BrN4O6S MolecularWeight: 637.501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)S(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C29H25BrN4O6S/c1-29(2,3)41(39,40)25-7-5-4-6-22(25)18-8-10-19(11-9-18)27(35)32-24-16-21(34(37)38)13-14-23(24)28(36)33-26-15-12-20(30)17-31-26/h4-17H,1-3H3,(H,32,35)(H,31,33,36)