2-[(4-tert-butylphenyl)carbonylamino]-N-(4-methylphenyl)-4-[[4-methylsulfinyl-2-(oxidanylideneboranylmethylamino)butanoyl]amino]benzamide

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylamino]-N-(4-methylphenyl)-4-[[4-methylsulfinyl-2-(oxidanylideneboranylmethylamino)butanoyl]amino]benzamide Openeye Name: 2-[(4-tert-butylbenzoyl)amino]-4-[[4-methylsulfinyl-2-(oxoboranylmethylamino)butanoyl]amino]-N-(p-tolyl)benzamide CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-N-(4-methylphenyl)-4-[[4-methylsulfinyl-1-oxo-2-(oxoboranylmethylamino)butyl]amino]benzamide IUPAC Name: 2-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-4-[[4-methylsulfinyl-2-(oxoboranylmethylamino)butanoyl]amino]benzamide Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-[[2-(ketoboranylmethylamino)-4-methylsulfinyl-butanoyl]amino]-N-(p-tolyl)benzamide Formula: C31H37BN4O5S MolecularWeight: 588.52528

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)CNC(CCS(=O)C)C(=O)NC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

B(=O)CNC(CCS(=O)C)C(=O)NC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C31H37BN4O5S/c1-20-6-12-23(13-7-20)34-29(38)25-15-14-24(35-30(39)26(33-19-32-40)16-17-42(5)41)18-27(25)36-28(37)21-8-10-22(11-9-21)31(2,3)4/h6-15,18,26,33H,16-17,19H2,1-5H3,(H,34,38)(H,35,39)(H,36,37)